[1-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O7S/c1-5-24(6-2)33(30,31)16-8-9-17(22)18(12-16)23-20(26)14(4)32-21(27)15-7-10-19(25(28)29)13(3)11-15/h7-12,14H,5-6H2,1-4H3,(H,23,26)