[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H23NO5S/c1-4-13(3)17-15(18)11-22-16(19)9-10-23(20,21)14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,17,18)