7-oxidanyl-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide

Systemtic Name: 7-oxidanyl-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Openeye Name: 7-hydroxy-1-(4-isopropylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide CAS Name: 7-hydroxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide IUPAC Name: 7-hydroxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Traditional Name: 7-hydroxy-1-(4-isopropylsulfonylphenyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3CCN2)O.Br

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3CCN2)O.Br

InChI

InChI=1S/C18H19NO4S.BrH/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18;/h3-6,9-11,19,21H,7-8H2,1-2H3;1H