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

Systemtic Name: N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(m-tolyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O3S2/c1-15-5-4-6-16(13-15)20-19(22)14-25-17-7-9-18(10-8-17)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)