[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-27-18-10-6-5-9-16(18)21-19(23)13-28-20(24)17-11-14-7-3-4-8-15(14)12-22(17)29(2,25)26/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m0/s1