CHEBI:97780 - N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:97780
Stars This entity has been manually annotated by a third party.
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Formula C24H31ClN2O7S
Net Charge 0
Average Mass 527.032
Monoisotopic Mass 526.15405
InChI InChI=1S/C24H31ClN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23+/m0/s1
InChIKey KWUJCNXGEDOTIS-YGKZAACZSA-N
SMILES C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC
ChEBI Ontology
Outgoing N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:97780) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-9159 LINCS
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