(2R)-2-(4-methylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(4-methylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(p-tolylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(4-methylphenyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(4-methylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(p-tolylthio)-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N2O3S2/c1-15-8-10-18(11-9-15)26-16(2)20(23)21-17-6-5-7-19(14-17)27(24,25)22-12-3-4-13-22/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1