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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(o-tolylmethylamino)-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-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-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-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-15-7-3-4-9-17(15)12-22-20(24)14-28-21(25)19-11-16-8-5-6-10-18(16)13-23(19)29(2,26)27/h3-10,19H,11-14H2,1-2H3,(H,22,24)/t19-/m0/s1