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

Systemtic Name: methyl 2-(3-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(3-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(3-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N2O4S/c1-24-18(21)17-10-14-6-2-3-7-15(14)12-20(17)25(22,23)16-8-4-5-13(9-16)11-19/h2-9,17H,10,12H2,1H3