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

Systemtic Name: (3R)-2-ethylsulfonyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-ethylsulfonyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-ethylsulfonyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-ethylsulfonyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-esyl-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)N(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O4S/c1-4-29(26,27)24-14-17-8-6-5-7-16(17)12-19(24)21(25)23(2)13-15-9-10-20(28-3)18(22)11-15/h5-11,19H,4,12-14H2,1-3H3/t19-/m1/s1