methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate

Systemtic Name: methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate Openeye Name: methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate CAS Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoate Traditional Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoic acid methyl ester Formula: C12H17N3O6S MolecularWeight: 331.34488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC=CC(=C1C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC=CC(=C1C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6S/c1-14(2)8-7-13-22(19,20)10-6-4-5-9(15(17)18)11(10)12(16)21-3/h4-6,13H,7-8H2,1-3H3