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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H20ClN3O4S2/c22-16-3-1-4-17(14-16)24-8-10-25(11-9-24)19-7-6-15(21(26)27)13-18(19)23-31(28,29)20-5-2-12-30-20/h1-7,12-14,23H,8-11H2,(H,26,27)