methyl 2-[2-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(4-chloro-2-fluoro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-chloro-2-fluorophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-2-fluorophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-chloro-2-fluoro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)F)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)F)CC(=O)OC)OC

InChI

InChI=1S/C20H21ClFNO6S/c1-27-17-8-12-6-7-23(30(25,26)19-5-4-13(21)9-15(19)22)16(11-20(24)29-3)14(12)10-18(17)28-2/h4-5,8-10,16H,6-7,11H2,1-3H3