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

Systemtic Name: N-(2-methylpropyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-isobutyl-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methylpropyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(2-methylpropyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-isobutyl-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCC2

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCC2

InChI

InChI=1S/C16H24N2O3S2/c1-12(2)11-17-23(20,21)13-6-7-15(22-3)14(10-13)16(19)18-8-4-5-9-18/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3