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

Systemtic Name: 3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride Openeye Name: 3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride CAS Name: 3-methyl-8-[(4-methylsulfonylphenyl)thio]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride IUPAC Name: 3-methyl-8-(4-methylsulfonylphenyl)sulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride Traditional Name: 8-[(4-mesylphenyl)thio]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride Formula: C24H26ClNO3S2 MolecularWeight: 476.05114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3S2.ClH/c1-25-13-12-18-14-24(29-19-8-10-20(11-9-19)30(2,27)28)23(26)15-21(18)22(16-25)17-6-4-3-5-7-17;/h3-11,14-15,22,26H,12-13,16H2,1-2H3;1H