methyl 4-[4-(5-butylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 4-[4-(5-butylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 4-[[4-(5-butyl-2-pyridyl)-1-piperidyl]sulfonyl]piperidine-4-carboxylate CAS Name: 4-[[4-(5-butyl-2-pyridinyl)-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-butylpyridin-2-yl)piperidin-1-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 4-[4-(5-butyl-2-pyridyl)piperidino]sulfonylisonipecotic acid methyl ester Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2CCN(CC2)S(=O)(=O)C3(CCNCC3)C(=O)OC

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2CCN(CC2)S(=O)(=O)C3(CCNCC3)C(=O)OC

InChI

InChI=1S/C21H33N3O4S/c1-3-4-5-17-6-7-19(23-16-17)18-8-14-24(15-9-18)29(26,27)21(20(25)28-2)10-12-22-13-11-21/h6-7,16,18,22H,3-5,8-15H2,1-2H3