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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

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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=CS3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O4S2/c22-16-4-1-2-5-18(16)24-9-11-25(12-10-24)19-8-7-15(21(26)27)14-17(19)23-31(28,29)20-6-3-13-30-20/h1-8,13-14,23H,9-12H2,(H,26,27)