methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanoate Openeye Name: methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetate CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetate Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid methyl ester Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

Isomeric SMILES

COC(=O)CC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

InChI

InChI=1S/C18H18FNO4S/c1-24-18(21)11-13-2-3-14-8-9-20(12-15(14)10-13)25(22,23)17-6-4-16(19)5-7-17/h2-7,10H,8-9,11-12H2,1H3