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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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