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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-4-5-14(3)18-16(19)12-23-17(20)10-11-24(21,22)15-8-6-13(2)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,18,19)