[1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-12-8-9-14(10-17(12)22(25)26)19(24)29-13(2)18(23)20-15-6-5-7-16(11-15)30(27,28)21(3)4/h5-11,13H,1-4H3,(H,20,23)