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

Systemtic Name: [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[3-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-4-22(5-2)31(28,29)17-8-6-7-16(12-17)21-19(24)13-30-20(25)15-9-10-18(23(26)27)14(3)11-15/h6-12H,4-5,13H2,1-3H3,(H,21,24)