[6-acetamido-5-methyl-1-(2-methylsulfonyloxyethyl)-7-nitro-benzimidazol-2-yl]methyl ethanoate

Systemtic Name: [6-acetamido-5-methyl-1-(2-methylsulfonyloxyethyl)-7-nitro-benzimidazol-2-yl]methyl ethanoate Openeye Name: [6-acetamido-5-methyl-1-(2-methylsulfonyloxyethyl)-7-nitro-benzimidazol-2-yl]methyl acetate CAS Name: acetic acid [6-acetamido-5-methyl-1-(2-methylsulfonyloxyethyl)-7-nitro-2-benzimidazolyl]methyl ester IUPAC Name: [6-acetamido-5-methyl-1-(2-methylsulfonyloxyethyl)-7-nitrobenzimidazol-2-yl]methyl acetate Traditional Name: acetic acid [6-acetamido-5-methyl-1-(2-methylsulfonyloxyethyl)-7-nitro-benzimidazol-2-yl]methyl ester Formula: C16H20N4O8S MolecularWeight: 428.417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O8S/c1-9-7-12-15(16(20(23)24)14(9)17-10(2)21)19(5-6-28-29(4,25)26)13(18-12)8-27-11(3)22/h7H,5-6,8H2,1-4H3,(H,17,21)