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

Systemtic Name: (1E)-1-butylidene-3-(4-methylphenyl)sulfonyl-2-propyl-2,4,5,6-tetrahydro-3-benzazocine Openeye Name: (1E)-1-butylidene-2-propyl-3-(p-tolylsulfonyl)-2,4,5,6-tetrahydro-3-benzazocine CAS Name: (1E)-1-butylidene-3-(4-methylphenyl)sulfonyl-2-propyl-2,4,5,6-tetrahydro-3-benzazocine IUPAC Name: (1E)-1-butylidene-3-(4-methylphenyl)sulfonyl-2-propyl-2,4,5,6-tetrahydro-3-benzazocine Traditional Name: (1E)-1-butylidene-2-propyl-3-tosyl-2,4,5,6-tetrahydro-3-benzazocine Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C(N(CCCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)CCC

Isomeric SMILES

CCC/C=C\1/C(N(CCCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)CCC

InChI

InChI=1S/C25H33NO2S/c1-4-6-13-24-23-14-8-7-11-21(23)12-9-19-26(25(24)10-5-2)29(27,28)22-17-15-20(3)16-18-22/h7-8,11,13-18,25H,4-6,9-10,12,19H2,1-3H3/b24-13+