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

Systemtic Name: N-(4-chlorophenyl)-4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(4-chlorophenyl)-4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(4-chlorophenyl)-4-[4-(4-cyanobenzyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4O3S/c26-22-7-9-23(10-8-22)28-34(32,33)24-11-5-21(6-12-24)25(31)30-15-13-29(14-16-30)18-20-3-1-19(17-27)2-4-20/h1-12,28H,13-16,18H2