N-(2-cyanoethyl)-4-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[4-(o-tolyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[4-(o-tolyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H24N4O3S/c1-17-5-2-3-6-20(17)24-13-15-25(16-14-24)21(26)18-7-9-19(10-8-18)29(27,28)23-12-4-11-22/h2-3,5-10,23H,4,12-16H2,1H3