3-[(3-fluorophenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3-fluorophenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3-fluorophenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C22H21FN4O4S MolecularWeight: 456.489943

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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)F)C4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O4S/c23-17-4-3-5-18(15-17)32(30,31)25-19-14-16(22(28)29)7-8-20(19)26-10-12-27(13-11-26)21-6-1-2-9-24-21/h1-9,14-15,25H,10-13H2,(H,28,29)