2-[6-acetamido-2-(chloromethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[6-acetamido-2-(chloromethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl methanesulfonate Openeye Name: 2-[6-acetamido-2-(chloromethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[6-acetamido-2-(chloromethyl)-5-methyl-7-nitro-1-benzimidazolyl]ethyl ester IUPAC Name: 2-[6-acetamido-2-(chloromethyl)-5-methyl-7-nitrobenzimidazol-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[6-acetamido-2-(chloromethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl ester Formula: C14H17ClN4O6S MolecularWeight: 404.82598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N(C(=N2)CCl)CCOS(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N(C(=N2)CCl)CCOS(=O)(=O)C

InChI

InChI=1S/C14H17ClN4O6S/c1-8-6-10-13(14(19(21)22)12(8)16-9(2)20)18(11(7-15)17-10)4-5-25-26(3,23)24/h6H,4-5,7H2,1-3H3,(H,16,20)