methyl (3R)-2-(3-methylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(3-methylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(3-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(3-methylsulfonylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(3-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-mesylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19NO5S/c1-25-19(22)17-11-13-6-3-4-7-15(13)12-20(17)18(21)14-8-5-9-16(10-14)26(2,23)24/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1