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

Systemtic Name: methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate hydrochloride Openeye Name: methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate hydrochloride CAS Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoate hydrochloride Traditional Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoic acid methyl ester hydrochloride Formula: C12H18ClN3O6S MolecularWeight: 367.80582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O6S.ClH/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;1H