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

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S2/c23-17-7-9-19(10-8-17)31-14-11-22(27)30-16-21(26)24-18-5-4-6-20(15-18)32(28,29)25-12-2-1-3-13-25/h4-10,15H,1-3,11-14,16H2,(H,24,26)