[5-(dimethylcarbamoyloxymethyl)-1-methyl-2-nitro-imidazol-4-yl]methyl 2-methylbenzenesulfonate

Systemtic Name: [5-(dimethylcarbamoyloxymethyl)-1-methyl-2-nitro-imidazol-4-yl]methyl 2-methylbenzenesulfonate Openeye Name: [5-(dimethylcarbamoyloxymethyl)-1-methyl-2-nitro-imidazol-4-yl]methyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [5-[[dimethylamino(oxo)methoxy]methyl]-1-methyl-2-nitro-4-imidazolyl]methyl ester IUPAC Name: [5-(dimethylcarbamoyloxymethyl)-1-methyl-2-nitroimidazol-4-yl]methyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [5-(dimethylcarbamoyloxymethyl)-1-methyl-2-nitro-imidazol-4-yl]methyl ester Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OCC2=C(N(C(=N2)[N+](=O)[O-])C)COC(=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCC2=C(N(C(=N2)[N+](=O)[O-])C)COC(=O)N(C)C

InChI

InChI=1S/C16H20N4O7S/c1-11-7-5-6-8-14(11)28(24,25)27-9-12-13(10-26-16(21)18(2)3)19(4)15(17-12)20(22)23/h5-8H,9-10H2,1-4H3