[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[4-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O5S2/c1-4-24(5-2)31(27,28)20-12-8-18(9-13-20)23-21(25)16-29-22(26)14-15-30-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,23,25)