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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(2-chlorophenyl)piperazino]-5-(2-thienylsulfonylamino)benzoic acid Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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