2-cyano-N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]benzenesulfonamide Openeye Name: 2-cyano-N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-cyano-N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-cyano-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]benzenesulfonamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H22N6O3S/c24-16-20-4-1-2-5-21(20)33(31,32)27-17-18-6-8-19(9-7-18)22(30)28-12-14-29(15-13-28)23-25-10-3-11-26-23/h1-11,27H,12-15,17H2