(1E)-3-(4-methylphenyl)sulfonyl-1-(phenylmethylidene)-2,4,5,6-tetrahydro-3-benzazocine

Systemtic Name: (1E)-3-(4-methylphenyl)sulfonyl-1-(phenylmethylidene)-2,4,5,6-tetrahydro-3-benzazocine Openeye Name: (1E)-1-benzylidene-3-(p-tolylsulfonyl)-2,4,5,6-tetrahydro-3-benzazocine CAS Name: (1E)-3-(4-methylphenyl)sulfonyl-1-(phenylmethylene)-2,4,5,6-tetrahydro-3-benzazocine IUPAC Name: (1E)-1-benzylidene-3-(4-methylphenyl)sulfonyl-2,4,5,6-tetrahydro-3-benzazocine Traditional Name: (1E)-1-benzal-3-tosyl-2,4,5,6-tetrahydro-3-benzazocine Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C3C(=CC4=CC=CC=C4)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C3/C(=C\C4=CC=CC=C4)/C2

InChI

InChI=1S/C25H25NO2S/c1-20-13-15-24(16-14-20)29(27,28)26-17-7-11-22-10-5-6-12-25(22)23(19-26)18-21-8-3-2-4-9-21/h2-6,8-10,12-16,18H,7,11,17,19H2,1H3/b23-18-