O1-methyl O4-(phenylmethyl) 4-[4-(5-butylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-(phenylmethyl) 4-[4-(5-butylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-methyl 4-[[4-(5-butyl-2-pyridyl)-1-piperidyl]sulfonyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[4-(5-butyl-2-pyridinyl)-1-piperidinyl]sulfonyl]piperidine-1,4-dicarboxylic acid O1-methyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-methyl 4-[4-(5-butylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-1,4-dicarboxylate Traditional Name: 4-[4-(5-butyl-2-pyridyl)piperidino]sulfonylpiperidine-1,4-dicarboxylic acid O4-benzyl ester O1-methyl ester Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C(=O)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C(=O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H39N3O6S/c1-3-4-8-23-11-12-26(30-21-23)25-13-17-32(18-14-25)39(35,36)29(15-19-31(20-16-29)28(34)37-2)27(33)38-22-24-9-6-5-7-10-24/h5-7,9-12,21,25H,3-4,8,13-20,22H2,1-2H3