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

Systemtic Name: 2-methyl-5-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 5-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 2-methyl-5-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 5-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]sulfamoyl]-2-methyl-benzoic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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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=CC(=C(C=C2)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-13(2)28-20(23)12-19(16-8-5-14(3)6-9-16)22-29(26,27)17-10-7-15(4)18(11-17)21(24)25/h5-11,13,19,22H,12H2,1-4H3,(H,24,25)