[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FN3O6S/c1-20(2,3)23-19(27)22-17(25)12-30-18(26)15-6-4-5-7-16(15)24-31(28,29)14-10-8-13(21)9-11-14/h4-11,24H,12H2,1-3H3,(H2,22,23,25,27)