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

Systemtic Name: methyl 2-(4-fluoranyl-2-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-fluoro-2-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(4-fluoro-2-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-fluoro-2-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(4-fluoro-2-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC

InChI

InChI=1S/C18H18FNO4S/c1-12-9-15(19)7-8-17(12)25(22,23)20-11-14-6-4-3-5-13(14)10-16(20)18(21)24-2/h3-9,16H,10-11H2,1-2H3