ethyl 4-[[3-(4-fluorophenyl)sulfonyloxyphenyl]methyl-propan-2-yl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(4-fluorophenyl)sulfonyloxyphenyl]methyl-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(4-fluorophenyl)sulfonyloxyphenyl]methyl-isopropyl-amino]-4-oxo-butanoate CAS Name: 4-[[3-(4-fluorophenyl)sulfonyloxyphenyl]methyl-propan-2-ylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-fluorophenyl)sulfonyloxyphenyl]methyl-propan-2-ylamino]-4-oxobutanoate Traditional Name: 4-[[3-(4-fluorophenyl)sulfonyloxybenzyl]-isopropyl-amino]-4-keto-butyric acid ethyl ester Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C22H26FNO6S/c1-4-29-22(26)13-12-21(25)24(16(2)3)15-17-6-5-7-19(14-17)30-31(27,28)20-10-8-18(23)9-11-20/h5-11,14,16H,4,12-13,15H2,1-3H3