[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

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