[(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-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 [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NCCOC)OC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C17H24N2O6S/c1-12(16(20)18-8-9-24-2)25-17(21)15-10-13-6-4-5-7-14(13)11-19(15)26(3,22)23/h4-7,12,15H,8-11H2,1-3H3,(H,18,20)/t12-,15+/m1/s1