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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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