[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H24FN3O6S MolecularWeight: 477.505863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN3O6S/c1-14(2)24-22(29)25-20(27)13-32-21(28)18-11-15-7-3-4-8-16(15)12-26(18)33(30,31)19-10-6-5-9-17(19)23/h3-10,14,18H,11-13H2,1-2H3,(H2,24,25,27,29)