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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)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(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)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-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C22H24FN3O6S MolecularWeight: 477.505863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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