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

Systemtic Name: 1-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-imidazol-1-yl]propan-2-ol Openeye Name: 1-[2-methyl-5-nitro-4-(p-tolylsulfonylmethyl)imidazol-1-yl]propan-2-ol CAS Name: 1-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1-imidazolyl]-2-propanol IUPAC Name: 1-[2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroimidazol-1-yl]propan-2-ol Traditional Name: 1-[2-methyl-5-nitro-4-(tosylmethyl)imidazol-1-yl]propan-2-ol Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c1-10-4-6-13(7-5-10)24(22,23)9-14-15(18(20)21)17(8-11(2)19)12(3)16-14/h4-7,11,19H,8-9H2,1-3H3