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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(2-chlorophenyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClN3O3S/c23-17-4-1-2-5-19(17)26-11-9-25(10-12-26)18-8-7-15(14-16(18)22(28)29)24-21(27)20-6-3-13-30-20/h1-8,13-14H,9-12H2,(H,24,27)(H,28,29)