(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO6S/c27-24(26-15-8-3-9-16-26)22(19-10-4-1-5-11-19)32-25(28)23-20(14-17-31-23)18-33(29,30)21-12-6-2-7-13-21/h1-2,4-7,10-14,17,22H,3,8-9,15-16,18H2