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

Systemtic Name: [1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O7S/c1-11(29-18(24)15-8-7-13(22(25)26)10-16(15)19)17(23)20-12-5-4-6-14(9-12)30(27,28)21(2)3/h4-11H,1-3H3,(H,20,23)