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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-16-5-4-6-17(13-16)21-19(22)14-26-20(23)11-12-27(24,25)18-9-7-15(2)8-10-18/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,22)