2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C22H20FN3O3S MolecularWeight: 425.475903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H20FN3O3S/c23-15-3-6-17(7-4-15)25-9-11-26(12-10-25)19-8-5-16(14-18(19)22(28)29)24-21(27)20-2-1-13-30-20/h1-8,13-14H,9-12H2,(H,24,27)(H,28,29)