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INV : Summary
Code
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INV
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One-letter code
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X
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Molecule name
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4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
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Systematic names
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Formula
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C14 H13 F N2 O3 S
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Formal charge
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0
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Molecular weight
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308.328 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Fc1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
SMILES
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CACTVS |
3.341 |
N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F |
Canonical SMILES
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CACTVS |
3.341 |
N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F |
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IUPAC InChI | InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20) |
IUPAC InChI key | IXDVPACDZDRCTN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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34 (21 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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2001-03-21
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Last modified at
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2011-06-04
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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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