methyl (3R)-2-[2,6-bis(fluoranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2,6-bis(fluoranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(2,6-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(2,6-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(2,6-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2,6-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H15F2NO4S MolecularWeight: 367.367106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H15F2NO4S/c1-24-17(21)15-9-11-5-2-3-6-12(11)10-20(15)25(22,23)16-13(18)7-4-8-14(16)19/h2-8,15H,9-10H2,1H3/t15-/m1/s1