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

Systemtic Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methyl-benzoic acid Formula: C18H20N2O8S MolecularWeight: 424.425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8S/c1-11-4-5-13(18(21)22)9-17(11)29(25,26)19-7-6-12-8-15(27-2)16(28-3)10-14(12)20(23)24/h4-5,8-10,19H,6-7H2,1-3H3,(H,21,22)