4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-1-yl]-N-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-N-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 4-[4-(4-pyridylmethyl)piperazino]-N-(4-pyrimidyl)benzenesulfonamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=NC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=NC=C4

InChI

InChI=1S/C20H22N6O2S/c27-29(28,24-20-7-10-22-16-23-20)19-3-1-18(2-4-19)26-13-11-25(12-14-26)15-17-5-8-21-9-6-17/h1-10,16H,11-15H2,(H,22,23,24)