[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21FN2O6S MolecularWeight: 388.411143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H21FN2O6S/c1-16(2,3)19-15(22)18-13(20)10-25-14(21)8-9-26(23,24)12-6-4-11(17)5-7-12/h4-7H,8-10H2,1-3H3,(H2,18,19,20,22)