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

Systemtic Name: 5-(4-chloranylphenoxy)-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 5-(4-chlorophenoxy)-7,8-dimethoxy-3-(p-tolylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 5-(4-chlorophenoxy)-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 5-(4-chlorophenoxy)-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 5-(4-chlorophenoxy)-7,8-dimethoxy-3-tosyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C25H26ClNO5S MolecularWeight: 487.99564

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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=C(C=C4)Cl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO5S/c1-17-4-10-21(11-5-17)33(28,29)27-13-12-18-14-23(30-2)24(31-3)15-22(18)25(16-27)32-20-8-6-19(26)7-9-20/h4-11,14-15,25H,12-13,16H2,1-3H3