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

Systemtic Name: 7,8-dimethoxy-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 2-benzyl-7,8-dimethoxy-4-(p-tolylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 7,8-dimethoxy-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 2-benzyl-7,8-dimethoxy-4-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 2-benzyl-7,8-dimethoxy-4-tosyl-1,3,4,5-tetrahydro-2-benzazepine Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC3=CC(=C(C=C3CN(C2)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CC3=CC(=C(C=C3CN(C2)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H29NO4S/c1-19-9-11-23(12-10-19)32(28,29)24-13-21-14-25(30-2)26(31-3)15-22(21)17-27(18-24)16-20-7-5-4-6-8-20/h4-12,14-15,24H,13,16-18H2,1-3H3