4-chloranyl-3-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]sulfamoyl]benzoic acid Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C20H22ClNO6S/c1-12(2)28-19(23)11-17(14-6-4-13(3)5-7-14)22-29(26,27)18-10-15(20(24)25)8-9-16(18)21/h4-10,12,17,22H,11H2,1-3H3,(H,24,25)