1-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-[[5-(4-methylsulfonylphenyl)-2-pyridyl]oxymethyl]-1-piperidyl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]-1-piperidinyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[4-[[5-(4-mesylphenyl)-2-pyridyl]oxymethyl]piperidino]-4-phenyl-butane-1,4-dione Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S/c1-36(33,34)25-10-7-22(8-11-25)24-9-13-27(29-19-24)35-20-21-15-17-30(18-16-21)28(32)14-12-26(31)23-5-3-2-4-6-23/h2-11,13,19,21H,12,14-18,20H2,1H3