[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [(1R)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [(1R)-2-(2-chloro-5-nitro-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=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S/c1-11(17(23)20-16-10-13(22(25)26)6-9-15(16)19)29-18(24)12-4-7-14(8-5-12)30(27,28)21(2)3/h4-11H,1-3H3,(H,20,23)/t11-/m1/s1