2-(4-bromanyl-2-ethyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-bromanyl-2-ethyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-bromo-2-ethyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-bromo-2-ethylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-bromo-2-ethylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-bromo-2-ethyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C19H22BrNO4S/c1-4-13-9-16(20)5-6-19(13)26(22,23)21-8-7-14-10-17(24-2)18(25-3)11-15(14)12-21/h5-6,9-11H,4,7-8,12H2,1-3H3