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

Systemtic Name: (3R)-2-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(3-chloro-4-fluoro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(3-chloro-4-fluoro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H16ClFN2O3S MolecularWeight: 382.836943

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN2O3S/c1-20-17(22)16-8-11-4-2-3-5-12(11)10-21(16)25(23,24)13-6-7-15(19)14(18)9-13/h2-7,9,16H,8,10H2,1H3,(H,20,22)/t16-/m1/s1