(3R)-2-ethylsulfonyl-N-(5-fluoranyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-ethylsulfonyl-N-(5-fluoranyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-ethylsulfonyl-N-(5-fluoro-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-ethylsulfonyl-N-(5-fluoro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-ethylsulfonyl-N-(5-fluoro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-esyl-N-(5-fluoro-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21FN2O3S MolecularWeight: 376.445043

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=CC(=C3)F)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=C(C=CC(=C3)F)C

InChI

InChI=1S/C19H21FN2O3S/c1-3-26(24,25)22-12-15-7-5-4-6-14(15)10-18(22)19(23)21-17-11-16(20)9-8-13(17)2/h4-9,11,18H,3,10,12H2,1-2H3,(H,21,23)/t18-/m1/s1