4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-[4-[(2-cyanophenyl)methyl]-1-piperazinyl]-N-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 4-[4-(2-cyanobenzyl)piperazino]-N-(4-pyrimidyl)benzenesulfonamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=NC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=NC=C4

InChI

InChI=1S/C22H22N6O2S/c23-15-18-3-1-2-4-19(18)16-27-11-13-28(14-12-27)20-5-7-21(8-6-20)31(29,30)26-22-9-10-24-17-25-22/h1-10,17H,11-14,16H2,(H,24,25,26)