[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H24N2O5S/c23-19(18-5-4-12-21-18)15-27-20(24)11-8-16-6-9-17(10-7-16)28(25,26)22-13-2-1-3-14-22/h4-7,9-10,12,21H,1-3,8,11,13-15H2