N-(2-methylphenyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-(o-tolyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-(o-tolyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O3S2/c1-14-7-3-4-8-17(14)20-26(23,24)15-9-10-18(25-2)16(13-15)19(22)21-11-5-6-12-21/h3-4,7-10,13,20H,5-6,11-12H2,1-2H3