2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-5-(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)NS(=O)(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

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

InChI

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