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

Systemtic Name: N-(2-methylphenyl)-4-methylsulfanyl-3-piperidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-(o-tolyl)-3-(piperidine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-(methylthio)-3-[oxo(1-piperidinyl)methyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-methylsulfanyl-3-(piperidine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-(o-tolyl)-3-(piperidine-1-carbonyl)benzenesulfonamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCCC3

InChI

InChI=1S/C20H24N2O3S2/c1-15-8-4-5-9-18(15)21-27(24,25)16-10-11-19(26-2)17(14-16)20(23)22-12-6-3-7-13-22/h4-5,8-11,14,21H,3,6-7,12-13H2,1-2H3