[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22FN3O6S MolecularWeight: 403.425783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H22FN3O6S/c1-3-4-9-18-16(23)19-14(21)11-26-15(22)10-20(2)27(24,25)13-7-5-12(17)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H2,18,19,21,23)