7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 7,8-dimethoxy-5-phenoxy-3-(p-tolylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 7,8-dimethoxy-5-phenoxy-3-tosyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C(C2)OC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C(C2)OC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H27NO5S/c1-18-9-11-21(12-10-18)32(27,28)26-14-13-19-15-23(29-2)24(30-3)16-22(19)25(17-26)31-20-7-5-4-6-8-20/h4-12,15-16,25H,13-14,17H2,1-3H3