[2,3-bis(fluoranyl)phenyl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2,3-difluorophenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2,3-difluorophenyl)methyl ester IUPAC Name: (2,3-difluorophenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2,3-difluorobenzyl) ester Formula: C19H19F2NO4S MolecularWeight: 395.420266

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=C(C(=CC=C3)F)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C19H19F2NO4S/c1-2-27(24,25)22-11-14-7-4-3-6-13(14)10-17(22)19(23)26-12-15-8-5-9-16(20)18(15)21/h3-9,17H,2,10-12H2,1H3/t17-/m0/s1