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

Systemtic Name: 2-methyl-5-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 5-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 2-methyl-5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 5-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]-2-methyl-benzoic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H22N2O8S/c1-12(2)30-19(23)11-17(15-6-4-5-7-18(15)22(26)27)21-31(28,29)14-9-8-13(3)16(10-14)20(24)25/h4-10,12,17,21H,11H2,1-3H3,(H,24,25)