4-[(1S,6S)-3,4-dimethyl-6-nitro-cyclohex-3-en-1-yl]-1-(4-methylphenyl)sulfonyl-imidazole

Systemtic Name: 4-[(1S,6S)-3,4-dimethyl-6-nitro-cyclohex-3-en-1-yl]-1-(4-methylphenyl)sulfonyl-imidazole Openeye Name: 4-[(1S,6S)-3,4-dimethyl-6-nitro-cyclohex-3-en-1-yl]-1-(p-tolylsulfonyl)imidazole CAS Name: 4-[(1S,6S)-3,4-dimethyl-6-nitro-1-cyclohex-3-enyl]-1-(4-methylphenyl)sulfonylimidazole IUPAC Name: 4-[(1S,6S)-3,4-dimethyl-6-nitrocyclohex-3-en-1-yl]-1-(4-methylphenyl)sulfonylimidazole Traditional Name: 4-[(1S,6S)-3,4-dimethyl-6-nitro-cyclohex-3-en-1-yl]-1-tosyl-imidazole Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C2=CN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O4S/c1-12-4-6-15(7-5-12)26(24,25)20-10-17(19-11-20)16-8-13(2)14(3)9-18(16)21(22)23/h4-7,10-11,16,18H,8-9H2,1-3H3/t16-,18+/m1/s1