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

Systemtic Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(4-cyanobenzyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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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)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c26-18-20-6-8-21(9-7-20)19-28-14-16-29(17-15-28)25(30)22-10-12-23(13-11-22)27-33(31,32)24-4-2-1-3-5-24/h1-13,27H,14-17,19H2