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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21FN2O6S MolecularWeight: 400.421843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN2O6S/c18-12-5-7-14(8-6-12)27(24,25)10-9-16(22)26-11-15(21)20-17(23)19-13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H2,19,20,21,23)