[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO5S/c1-4-17-7-6-8-18(5-2)22(17)23-20(24)15-28-21(25)13-14-29(26,27)19-11-9-16(3)10-12-19/h6-12H,4-5,13-15H2,1-3H3,(H,23,24)