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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCNC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C

InChI

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