[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate Openeye Name: [(1R)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)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] 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [(1R)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O7S/c1-3-20-30(27,28)14-6-4-5-12(9-14)18(24)29-11(2)17(23)21-16-10-13(22(25)26)7-8-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,23)/t11-/m1/s1