1-[5-(3-methylsulfonylphenyl)-7-oxidanyl-8-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone

Systemtic Name: 1-[5-(3-methylsulfonylphenyl)-7-oxidanyl-8-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Openeye Name: 1-[7-hydroxy-5-(3-methylsulfonylphenyl)-8-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone CAS Name: 1-[7-hydroxy-5-(3-methylsulfonylphenyl)-8-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone IUPAC Name: 1-[7-hydroxy-5-(3-methylsulfonylphenyl)-8-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Traditional Name: 1-[7-hydroxy-5-(3-mesylphenyl)-8-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone Formula: C25H25NO4S2 MolecularWeight: 467.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)S(=O)(=O)C)O)SC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)S(=O)(=O)C)O)SC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S2/c1-17(27)26-12-11-19-14-25(31-20-8-4-3-5-9-20)24(28)15-22(19)23(16-26)18-7-6-10-21(13-18)32(2,29)30/h3-10,13-15,23,28H,11-12,16H2,1-2H3