5-(3-methylsulfonylphenyl)-8-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

Systemtic Name: 5-(3-methylsulfonylphenyl)-8-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol Openeye Name: 5-(3-methylsulfonylphenyl)-8-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol CAS Name: 5-(3-methylsulfonylphenyl)-8-(phenylthio)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol IUPAC Name: 5-(3-methylsulfonylphenyl)-8-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol Traditional Name: 5-(3-mesylphenyl)-8-(phenylthio)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol Formula: C23H23NO3S2 MolecularWeight: 425.56362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2CNCCC3=CC(=C(C=C23)O)SC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2CNCCC3=CC(=C(C=C23)O)SC4=CC=CC=C4

InChI

InChI=1S/C23H23NO3S2/c1-29(26,27)19-9-5-6-16(12-19)21-15-24-11-10-17-13-23(22(25)14-20(17)21)28-18-7-3-2-4-8-18/h2-9,12-14,21,24-25H,10-11,15H2,1H3