(3S)-N-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-fluorophenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H17FN2O3S MolecularWeight: 348.391883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O3S/c1-24(22,23)20-11-13-5-3-2-4-12(13)10-16(20)17(21)19-15-8-6-14(18)7-9-15/h2-9,16H,10-11H2,1H3,(H,19,21)/t16-/m0/s1