2-chloranyl-5-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]sulfamoyl]benzoic acid Formula: C20H22ClNO6S MolecularWeight: 439.90978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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