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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H22FNO5S MolecularWeight: 359.412983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FNO5S/c1-12(2)7-9-18-15(19)11-23-16(20)8-10-24(21,22)14-5-3-13(17)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,18,19)