3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-4-methyl-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-4-methyl-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-4-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-4-methyl-N-(p-tolyl)benzenesulfonamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4O3S/c1-20-3-10-24(11-4-20)29-35(33,34)25-12-5-21(2)26(17-25)27(32)31-15-13-30(14-16-31)19-23-8-6-22(18-28)7-9-23/h3-12,17,29H,13-16,19H2,1-2H3