2-(phenylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-(phenylmethylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-benzylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(benzylthio)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-16(26-15-17-7-3-2-4-8-17)20(23)21-18-9-11-19(12-10-18)27(24,25)22-13-5-6-14-22/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)