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

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-4-17-6-8-18(9-7-17)22-20(23)14-27-21(24)11-12-28(25,26)19-10-5-15(2)16(3)13-19/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,23)