(phenylmethyl) 4-(4-methoxycarbonyl-2-methylsulfinyl-phenyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-methoxycarbonyl-2-methylsulfinyl-phenyl)piperidine-1-carboxylate Openeye Name: benzyl 4-(4-methoxycarbonyl-2-methylsulfinyl-phenyl)piperidine-1-carboxylate CAS Name: 4-(4-methoxycarbonyl-2-methylsulfinylphenyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-methoxycarbonyl-2-methylsulfinylphenyl)piperidine-1-carboxylate Traditional Name: 4-(4-carbomethoxy-2-methylsulfinyl-phenyl)piperidine-1-carboxylic acid benzyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)S(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)S(=O)C

InChI

InChI=1S/C22H25NO5S/c1-27-21(24)18-8-9-19(20(14-18)29(2)26)17-10-12-23(13-11-17)22(25)28-15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3