N-(4-phenylbutan-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-phenylbutan-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(4-phenylbutan-2-yl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-18(9-10-19-7-3-2-4-8-19)23-22(25)17-28-20-11-13-21(14-12-20)29(26,27)24-15-5-6-16-24/h2-4,7-8,11-14,18H,5-6,9-10,15-17H2,1H3,(H,23,25)