2-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazol-1-yl]ethanol

Systemtic Name: 2-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazol-1-yl]ethanol Openeye Name: 2-[2-methyl-5-nitro-4-(p-tolylsulfonylmethyl)imidazol-1-yl]ethanol CAS Name: 2-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1-imidazolyl]ethanol IUPAC Name: 2-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroimidazol-1-yl]ethanol Traditional Name: 2-[2-methyl-5-nitro-4-(tosylmethyl)imidazol-1-yl]ethanol Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(C(=N2)C)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(C(=N2)C)CCO)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c1-10-3-5-12(6-4-10)23(21,22)9-13-14(17(19)20)16(7-8-18)11(2)15-13/h3-6,18H,7-9H2,1-2H3