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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

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