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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-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-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 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-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H26FN3O6S MolecularWeight: 491.532443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O6S/c1-23(2,3)26-22(30)25-20(28)14-33-21(29)18-12-15-8-4-5-9-16(15)13-27(18)34(31,32)19-11-7-6-10-17(19)24/h4-11,18H,12-14H2,1-3H3,(H2,25,26,28,30)