3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4,5-dimethyl-benzoic acid Formula: C19H22N2O8S MolecularWeight: 438.45158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C19H22N2O8S/c1-11-7-14(19(22)23)9-18(12(11)2)30(26,27)20-6-5-13-8-16(28-3)17(29-4)10-15(13)21(24)25/h7-10,20H,5-6H2,1-4H3,(H,22,23)