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

Systemtic Name: 5-(3-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrochloride Openeye Name: 5-(3-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrochloride CAS Name: 5-(3-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrochloride IUPAC Name: 5-(3-methylsulfonylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrochloride Traditional Name: 5-(3-mesylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrochloride Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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