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

Systemtic Name: 2-[4-[(4-fluorophenyl)sulfonylmethyl]-2-methyl-5-nitro-imidazol-1-yl]ethanol Openeye Name: 2-[4-[(4-fluorophenyl)sulfonylmethyl]-2-methyl-5-nitro-imidazol-1-yl]ethanol CAS Name: 2-[4-[(4-fluorophenyl)sulfonylmethyl]-2-methyl-5-nitro-1-imidazolyl]ethanol IUPAC Name: 2-[4-[(4-fluorophenyl)sulfonylmethyl]-2-methyl-5-nitroimidazol-1-yl]ethanol Traditional Name: 2-[4-[(4-fluorophenyl)sulfonylmethyl]-2-methyl-5-nitro-imidazol-1-yl]ethanol Formula: C13H14FN3O5S MolecularWeight: 343.330763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CCO)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC(=C(N1CCO)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H14FN3O5S/c1-9-15-12(13(17(19)20)16(9)6-7-18)8-23(21,22)11-4-2-10(14)3-5-11/h2-5,18H,6-8H2,1H3