5-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 5-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Openeye Name: 5-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide CAS Name: 5-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 5-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Traditional Name: 5-(4-mesylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide Formula: C17H20BrNO4S MolecularWeight: 414.314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2CNCCC3=CC(=C(C=C23)O)O.Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2CNCCC3=CC(=C(C=C23)O)O.Br

InChI

InChI=1S/C17H19NO4S.BrH/c1-23(21,22)13-4-2-11(3-5-13)15-10-18-7-6-12-8-16(19)17(20)9-14(12)15;/h2-5,8-9,15,18-20H,6-7,10H2,1H3;1H