4-[[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[6-(4-phenylpiperazin-1-yl)-3-pyridyl]sulfamoyl]benzoic acid CAS Name: 4-[[6-(4-phenyl-1-piperazinyl)-3-pyridinyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[6-(4-phenylpiperazino)-3-pyridyl]sulfamoyl]benzoic acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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