N-[(2-cyanophenyl)methyl]-N-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[(2-cyanophenyl)methyl]-N-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: N-[(2-cyanophenyl)methyl]-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[(2-cyanophenyl)methyl]-N-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]benzenesulfonamide IUPAC Name: N-[(2-cyanophenyl)methyl]-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-(2-cyanobenzyl)-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C31H28N4O3S MolecularWeight: 536.64402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O3S/c32-23-26-9-7-8-10-27(26)24-35(39(37,38)30-13-5-2-6-14-30)29-17-15-25(16-18-29)31(36)34-21-19-33(20-22-34)28-11-3-1-4-12-28/h1-18H,19-22,24H2