5-[6-[(3-carboxy-4-chloranyl-phenyl)sulfonylamino]hexylsulfamoyl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[6-[(3-carboxy-4-chloranyl-phenyl)sulfonylamino]hexylsulfamoyl]-2-chloranyl-benzoic acid Openeye Name: 5-[6-[(3-carboxy-4-chloro-phenyl)sulfonylamino]hexylsulfamoyl]-2-chloro-benzoic acid CAS Name: 5-[6-[(3-carboxy-4-chlorophenyl)sulfonylamino]hexylsulfamoyl]-2-chlorobenzoic acid IUPAC Name: 5-[6-[(3-carboxy-4-chlorophenyl)sulfonylamino]hexylsulfamoyl]-2-chlorobenzoic acid Traditional Name: 5-[6-[(3-carboxy-4-chloro-phenyl)sulfonylamino]hexylsulfamoyl]-2-chloro-benzoic acid Formula: C20H22Cl2N2O8S2 MolecularWeight: 553.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C20H22Cl2N2O8S2/c21-17-7-5-13(11-15(17)19(25)26)33(29,30)23-9-3-1-2-4-10-24-34(31,32)14-6-8-18(22)16(12-14)20(27)28/h5-8,11-12,23-24H,1-4,9-10H2,(H,25,26)(H,27,28)