3-[4-(5-carboxy-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-chloranyl-benzoic acid

Systemtic Name: 3-[4-(5-carboxy-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-chloranyl-benzoic acid Openeye Name: 3-[4-(5-carboxy-2-chloro-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-chloro-benzoic acid CAS Name: 3-[[4-(5-carboxy-2-chlorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-4-chlorobenzoic acid IUPAC Name: 3-[4-(5-carboxy-2-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-4-chlorobenzoic acid Traditional Name: 3-[4-(5-carboxy-2-chloro-phenyl)sulfonylpiperazino]sulfonyl-4-chloro-benzoic acid Formula: C18H16Cl2N2O8S2 MolecularWeight: 523.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C18H16Cl2N2O8S2/c19-13-3-1-11(17(23)24)9-15(13)31(27,28)21-5-7-22(8-6-21)32(29,30)16-10-12(18(25)26)2-4-14(16)20/h1-4,9-10H,5-8H2,(H,23,24)(H,25,26)