(3E)-4-methylidene-1-(4-methylphenyl)sulfonyl-3-(phenylmethylidene)azepane

Systemtic Name: (3E)-4-methylidene-1-(4-methylphenyl)sulfonyl-3-(phenylmethylidene)azepane Openeye Name: (3E)-3-benzylidene-4-methylene-1-(p-tolylsulfonyl)azepane CAS Name: (3E)-4-methylene-1-(4-methylphenyl)sulfonyl-3-(phenylmethylene)azepane IUPAC Name: (3E)-3-benzylidene-4-methylidene-1-(4-methylphenyl)sulfonylazepane Traditional Name: (3E)-3-benzal-4-methylene-1-tosyl-azepane Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=C)C(=CC3=CC=CC=C3)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=C)/C(=C\C3=CC=CC=C3)/C2

InChI

InChI=1S/C21H23NO2S/c1-17-10-12-21(13-11-17)25(23,24)22-14-6-7-18(2)20(16-22)15-19-8-4-3-5-9-19/h3-5,8-13,15H,2,6-7,14,16H2,1H3/b20-15-