[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O6S2/c24-18(19-8-5-13-30-19)9-10-21(26)29-15-20(25)22-16-6-4-7-17(14-16)31(27,28)23-11-2-1-3-12-23/h4-8,13-14H,1-3,9-12,15H2,(H,22,25)