ethyl 4-[[(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-ethylsulfonyloxyphenyl)methyl-[(1S)-1-methylpropyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-butan-2-yl]-[(4-ethylsulfonyloxyphenyl)methyl]amino]-4-oxobutanoate Traditional Name: 4-[(4-esyloxybenzyl)-[(1S)-1-methylpropyl]amino]-4-keto-butyric acid ethyl ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)CCC(=O)OCC

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)CCC(=O)OCC

InChI

InChI=1S/C19H29NO6S/c1-5-15(4)20(18(21)12-13-19(22)25-6-2)14-16-8-10-17(11-9-16)26-27(23,24)7-3/h8-11,15H,5-7,12-14H2,1-4H3/t15-/m0/s1