(2S)-5-cyclohexylidene-2-methyl-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine

Systemtic Name: (2S)-5-cyclohexylidene-2-methyl-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine Openeye Name: (2S)-5-cyclohexylidene-2-methyl-4-methylene-1-(p-tolylsulfonyl)-2,3-dihydroazepine CAS Name: (2S)-5-cyclohexylidene-2-methyl-4-methylene-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine IUPAC Name: (2S)-5-cyclohexylidene-2-methyl-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine Traditional Name: (2S)-5-cyclohexylidene-2-methyl-4-methylene-1-tosyl-2,3-dihydroazepine Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C)C(=C2CCCCC2)C=CN1S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CC(=C)C(=C2CCCCC2)C=CN1S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27NO2S/c1-16-9-11-20(12-10-16)25(23,24)22-14-13-21(17(2)15-18(22)3)19-7-5-4-6-8-19/h9-14,18H,2,4-8,15H2,1,3H3/t18-/m0/s1