4-chloranyl-5-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-chloranyl-5-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-chloro-5-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-chloro-5-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-chloro-5-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-chloro-5-[4-(2-chlorophenyl)sulfonylpiperazino]coumarilic acid Formula: C19H16Cl2N2O5S MolecularWeight: 455.31174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H16Cl2N2O5S/c20-13-3-1-2-4-17(13)29(26,27)23-9-7-22(8-10-23)14-5-6-15-12(18(14)21)11-16(28-15)19(24)25/h1-6,11H,7-10H2,(H,24,25)