methyl 4-[4-(1-pentylpiperidin-4-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-(1-pentylpiperidin-4-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-(1-pentyl-4-piperidyl)-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-(1-pentyl-4-piperidinyl)-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1-pentylpiperidin-4-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(1-amyl-4-piperidyl)piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C22H40N2O5S MolecularWeight: 444.6284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC

Isomeric SMILES

CCCCCN1CCC(CC1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC

InChI

InChI=1S/C22H40N2O5S/c1-3-4-5-12-23-13-6-19(7-14-23)20-8-15-24(16-9-20)30(26,27)22(21(25)28-2)10-17-29-18-11-22/h19-20H,3-18H2,1-2H3