N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(benzylthio)-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)propionamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-15(27-14-16-7-3-2-4-8-16)20(24)21-18-13-17(9-10-19(18)23)28(25,26)22-11-5-6-12-22/h2-4,7-10,13,15,23H,5-6,11-12,14H2,1H3,(H,21,24)