7-methoxy-3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride

Systemtic Name: 7-methoxy-3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Openeye Name: 7-methoxy-3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride CAS Name: 7-methoxy-3-methyl-8-[(4-methylsulfonylphenyl)thio]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride IUPAC Name: 7-methoxy-3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Traditional Name: 8-[(4-mesylphenyl)thio]-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Formula: C25H28ClNO3S2 MolecularWeight: 490.07772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC)SC4=CC=C(C=C4)S(=O)(=O)C.Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC)SC4=CC=C(C=C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C25H27NO3S2.ClH/c1-26-14-13-19-15-25(30-20-9-11-21(12-10-20)31(3,27)28)24(29-2)16-22(19)23(17-26)18-7-5-4-6-8-18;/h4-12,15-16,23H,13-14,17H2,1-3H3;1H