[1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[5-(dimethylsulfamoyl)-2-methyl-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)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

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