4-chloranyl-3-[[3-oxidanyl-3-oxidanylidene-1-(3-phenoxyphenyl)propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[3-oxidanyl-3-oxidanylidene-1-(3-phenoxyphenyl)propyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-hydroxy-3-oxo-1-(3-phenoxyphenyl)propyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[3-hydroxy-3-oxo-1-(3-phenoxyphenyl)propyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[3-hydroxy-3-oxo-1-(3-phenoxyphenyl)propyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-hydroxy-3-keto-1-(3-phenoxyphenyl)propyl]sulfamoyl]benzoic acid Formula: C22H18ClNO7S MolecularWeight: 475.89882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H18ClNO7S/c23-18-10-9-15(22(27)28)12-20(18)32(29,30)24-19(13-21(25)26)14-5-4-8-17(11-14)31-16-6-2-1-3-7-16/h1-12,19,24H,13H2,(H,25,26)(H,27,28)