3-(phenylsulfonylamino)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(phenylsulfonylamino)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-(benzenesulfonamido)-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C22H22N4O4S/c27-22(28)17-9-10-20(19(16-17)24-31(29,30)18-6-2-1-3-7-18)25-12-14-26(15-13-25)21-8-4-5-11-23-21/h1-11,16,24H,12-15H2,(H,27,28)