[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)propanoate

Systemtic Name: [2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)propanoate Openeye Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl] 3-(4-ethylphenyl)propanoate CAS Name: 3-(4-ethylphenyl)propanoic acid [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(4-ethylphenyl)propanoate Traditional Name: 3-(4-ethylphenyl)propionic acid [2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)NC

InChI

InChI=1S/C21H26N2O5S/c1-4-16-6-8-17(9-7-16)10-12-21(25)28-14-20(24)23-18-11-5-15(2)19(13-18)29(26,27)22-3/h5-9,11,13,22H,4,10,12,14H2,1-3H3,(H,23,24)