[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-4-24(5-2)33(30,31)18-10-7-17(8-11-18)9-13-22(27)32-15-21(26)23-19-12-6-16(3)14-20(19)25(28)29/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,23,26)