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

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]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-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]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-keto-2-[[2-keto-2-(propylamino)ethyl]amino]ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)CNC(=O)COC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-3-8-19-16(22)10-20-17(23)12-27-18(24)15-9-13-6-4-5-7-14(13)11-21(15)28(2,25)26/h4-7,15H,3,8-12H2,1-2H3,(H,19,22)(H,20,23)/t15-/m0/s1