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

Systemtic Name: (1E)-3-(4-methylphenyl)sulfonyl-1-nonylidene-2,4,5,6-tetrahydro-3-benzazocine Openeye Name: (1E)-1-nonylidene-3-(p-tolylsulfonyl)-2,4,5,6-tetrahydro-3-benzazocine CAS Name: (1E)-3-(4-methylphenyl)sulfonyl-1-nonylidene-2,4,5,6-tetrahydro-3-benzazocine IUPAC Name: (1E)-3-(4-methylphenyl)sulfonyl-1-nonylidene-2,4,5,6-tetrahydro-3-benzazocine Traditional Name: (1E)-1-nonylidene-3-tosyl-2,4,5,6-tetrahydro-3-benzazocine Formula: C27H37NO2S MolecularWeight: 439.65318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CN(CCCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC/C=C\1/CN(CCCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H37NO2S/c1-3-4-5-6-7-8-9-14-25-22-28(21-12-15-24-13-10-11-16-27(24)25)31(29,30)26-19-17-23(2)18-20-26/h10-11,13-14,16-20H,3-9,12,15,21-22H2,1-2H3/b25-14-