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

Systemtic Name: N-(3-ethanoylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-15(23)16-5-4-6-17(13-16)21-20(24)14-27-18-7-9-19(10-8-18)28(25,26)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)