4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid CAS Name: 3-(benzenesulfonamido)-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-[4-(2-fluorophenyl)piperazino]benzoic acid Formula: C23H22FN3O4S MolecularWeight: 455.501883

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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=C4F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN3O4S/c24-19-8-4-5-9-21(19)26-12-14-27(15-13-26)22-11-10-17(23(28)29)16-20(22)25-32(30,31)18-6-2-1-3-7-18/h1-11,16,25H,12-15H2,(H,28,29)