[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-12-7-8-13(10-16(12)20(23)24)17(21)11-27-18(22)14-5-4-6-15(9-14)28(25,26)19(2)3/h4-10H,11H2,1-3H3