(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27NO5S/c28-25(23-12-11-21-6-2-3-7-22(21)18-23)19-32-26(29)15-10-20-8-13-24(14-9-20)33(30,31)27-16-4-1-5-17-27/h2-3,6-9,11-14,18H,1,4-5,10,15-17,19H2