methyl (3R)-2-(3-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(3-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(3-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(3-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(3-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrNO4S/c1-23-17(20)16-9-12-5-2-3-6-13(12)11-19(16)24(21,22)15-8-4-7-14(18)10-15/h2-8,10,16H,9,11H2,1H3/t16-/m1/s1