2-chloranyl-5-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[5-(diethylsulfamoyl)-2-methoxyphenyl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[[5-(diethylsulfamoyl)-2-methoxyphenyl]sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]sulfamoyl]benzoic acid Formula: C18H21ClN2O7S2 MolecularWeight: 476.95154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H21ClN2O7S2/c1-4-21(5-2)30(26,27)13-7-9-17(28-3)16(11-13)20-29(24,25)12-6-8-15(19)14(10-12)18(22)23/h6-11,20H,4-5H2,1-3H3,(H,22,23)