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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-4-15(5-2)19-17(21)12-25-18(22)16-10-13-8-6-7-9-14(13)11-20(16)26(3,23)24/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,19,21)/t16-/m0/s1