2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-imidazole

Systemtic Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-imidazole Openeye Name: 2-methyl-5-nitro-1-(p-tolylsulfonyl)imidazole CAS Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitroimidazole IUPAC Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitroimidazole Traditional Name: 2-methyl-5-nitro-1-tosyl-imidazole Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C11H11N3O4S/c1-8-3-5-10(6-4-8)19(17,18)13-9(2)12-7-11(13)14(15)16/h3-7H,1-2H3