[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H26N2O6S2/c1-17-2-6-19(7-3-17)31-15-10-22(26)30-16-21(25)23-18-4-8-20(9-5-18)32(27,28)24-11-13-29-14-12-24/h2-9H,10-16H2,1H3,(H,23,25)