N-(3-ethanoylphenyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(3-ethanoylphenyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(3-acetylphenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(3-acetylphenyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(3-acetylphenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(3-acetylphenyl)-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O4S2/c1-14(23)15-6-5-7-16(12-15)21-28(25,26)17-8-9-19(27-2)18(13-17)20(24)22-10-3-4-11-22/h5-9,12-13,21H,3-4,10-11H2,1-2H3