[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c25-21(17-29-22(26)13-16-30-19-7-3-1-4-8-19)23-18-9-11-20(12-10-18)31(27,28)24-14-5-2-6-15-24/h1,3-4,7-12H,2,5-6,13-17H2,(H,23,25)