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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H20FNO5S MolecularWeight: 345.386403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FNO5S/c1-11(2)9-17-14(18)10-22-15(19)7-8-23(20,21)13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,17,18)