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

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(benzylthio)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)propionamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-16(28-15-17-8-4-3-5-9-17)21(24)22-19-14-18(10-11-20(19)27-2)29(25,26)23-12-6-7-13-23/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,22,24)