(phenylmethyl) 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-methylsulfonylphenyl)-2-pyrazinyl]oxymethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C=N2)OCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C=N2)OCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-34(30,31)22-9-7-21(8-10-22)23-15-27-24(16-26-23)32-17-20-11-13-28(14-12-20)25(29)33-18-19-5-3-2-4-6-19/h2-10,15-16,20H,11-14,17-18H2,1H3