2-methyl-1-[2-(4-methylphenyl)sulfonylethyl]-5-nitro-imidazole

Systemtic Name: 2-methyl-1-[2-(4-methylphenyl)sulfonylethyl]-5-nitro-imidazole Openeye Name: 2-methyl-5-nitro-1-[2-(p-tolylsulfonyl)ethyl]imidazole CAS Name: 2-methyl-1-[2-(4-methylphenyl)sulfonylethyl]-5-nitroimidazole IUPAC Name: 2-methyl-1-[2-(4-methylphenyl)sulfonylethyl]-5-nitroimidazole Traditional Name: 2-methyl-5-nitro-1-(2-tosylethyl)imidazole Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O4S/c1-10-3-5-12(6-4-10)21(19,20)8-7-15-11(2)14-9-13(15)16(17)18/h3-6,9H,7-8H2,1-2H3