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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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