[3-(dimethylsulfamoyl)phenyl]methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H19N3O6S/c1-18-16-8-7-13(20(22)23)10-15(16)17(21)26-11-12-5-4-6-14(9-12)27(24,25)19(2)3/h4-10,18H,11H2,1-3H3