3-[4-[6-(1H-pyrazol-4-yl)quinolin-4-yl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 3-[4-[6-(1H-pyrazol-4-yl)quinolin-4-yl]piperazin-1-yl]benzenesulfonamide Openeye Name: 3-[4-[6-(1H-pyrazol-4-yl)-4-quinolyl]piperazin-1-yl]benzenesulfonamide CAS Name: 3-[4-[6-(1H-pyrazol-4-yl)-4-quinolinyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-[4-[6-(1H-pyrazol-4-yl)quinolin-4-yl]piperazin-1-yl]benzenesulfonamide Traditional Name: 3-[4-[6-(1H-pyrazol-4-yl)-4-quinolyl]piperazino]benzenesulfonamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2S/c23-31(29,30)19-3-1-2-18(13-19)27-8-10-28(11-9-27)22-6-7-24-21-5-4-16(12-20(21)22)17-14-25-26-15-17/h1-7,12-15H,8-11H2,(H,25,26)(H2,23,29,30)