(phenylmethyl) 1-(4-methylphenyl)sulfonyl-2-oxidanylidene-3-phenylselanyl-piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-methylphenyl)sulfonyl-2-oxidanylidene-3-phenylselanyl-piperidine-3-carboxylate Openeye Name: benzyl 2-oxo-3-phenylselanyl-1-(p-tolylsulfonyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-oxo-3-(phenylseleno)-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-methylphenyl)sulfonyl-2-oxo-3-phenylselanylpiperidine-3-carboxylate Traditional Name: 2-keto-3-(phenylseleno)-1-tosyl-nipecotic acid benzyl ester Formula: C26H25NO5SSe MolecularWeight: 542.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2=O)(C(=O)OCC3=CC=CC=C3)[Se]C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2=O)(C(=O)OCC3=CC=CC=C3)[Se]C4=CC=CC=C4

InChI

InChI=1S/C26H25NO5SSe/c1-20-13-15-22(16-14-20)33(30,31)27-18-8-17-26(24(27)28,34-23-11-6-3-7-12-23)25(29)32-19-21-9-4-2-5-10-21/h2-7,9-16H,8,17-19H2,1H3