methyl (3R)-2-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-methylsulfonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-methylsulfonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-(2-mesylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)17-11-14-7-3-4-8-15(14)12-22(17)13-19(23)21-16-9-5-6-10-18(16)28(2,25)26/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m1/s1