N-(2-cyanoethyl)-4-(4-methyl-2-phenyl-piperazin-1-yl)carbonyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

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