O3-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H23N3O9S MolecularWeight: 493.48702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O9S/c1-5-32-20(26)14-8-15(10-17(9-14)24(28)29)21(27)33-12-19(25)22-16-7-6-13(2)18(11-16)34(30,31)23(3)4/h6-11H,5,12H2,1-4H3,(H,22,25)