(5E)-5-butylidene-3-(4-methylphenyl)sulfonyl-4-propyl-2,4-dihydro-1H-3-benzazepine

Systemtic Name: (5E)-5-butylidene-3-(4-methylphenyl)sulfonyl-4-propyl-2,4-dihydro-1H-3-benzazepine Openeye Name: (5E)-5-butylidene-4-propyl-3-(p-tolylsulfonyl)-2,4-dihydro-1H-3-benzazepine CAS Name: (5E)-5-butylidene-3-(4-methylphenyl)sulfonyl-4-propyl-2,4-dihydro-1H-3-benzazepine IUPAC Name: (5E)-5-butylidene-3-(4-methylphenyl)sulfonyl-4-propyl-2,4-dihydro-1H-3-benzazepine Traditional Name: (5E)-5-butylidene-4-propyl-3-tosyl-2,4-dihydro-1H-3-benzazepine Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C(N(CCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)CCC

Isomeric SMILES

CCC/C=C\1/C(N(CCC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)CCC

InChI

InChI=1S/C24H31NO2S/c1-4-6-11-23-22-12-8-7-10-20(22)17-18-25(24(23)9-5-2)28(26,27)21-15-13-19(3)14-16-21/h7-8,10-16,24H,4-6,9,17-18H2,1-3H3/b23-11+