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

Systemtic Name: methyl (3R)-2-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(3-chloro-4-fluoro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(3-chloro-4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(3-chloro-4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-chloro-4-fluoro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H15ClFNO4S MolecularWeight: 383.821703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClFNO4S/c1-24-17(21)16-8-11-4-2-3-5-12(11)10-20(16)25(22,23)13-6-7-15(19)14(18)9-13/h2-7,9,16H,8,10H2,1H3/t16-/m1/s1