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10H : Summary
Code
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10H
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One-letter code
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X
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Molecule name
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1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one
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Systematic names
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Formula
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C16 H20 N2 O3 S
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Formal charge
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0
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Molecular weight
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320.407 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(c2ccc(N1C=CCC1=O)cc2)N3C(C)CCCC3 |
SMILES
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CACTVS |
3.370 |
C[CH]1CCCCN1[S](=O)(=O)c2ccc(cc2)N3C=CCC3=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O |
Canonical SMILES
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CACTVS |
3.370 |
C[C@@H]1CCCCN1[S](=O)(=O)c2ccc(cc2)N3C=CCC3=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O |
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IUPAC InChI | InChI=1S/C16H20N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h4,7-11,13H,2-3,5-6,12H2,1H3/t13-/m1/s1 |
IUPAC InChI key | MCVNUKURBWEELF-CYBMUJFWSA-N |
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wwPDB Information |
Atom count
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42 (22 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2012-09-21
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Last modified at
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2013-03-15
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Status
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Released
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Obsoleted
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Not Assigned
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