[8-(oxan-2-yloxy)-1-pyridin-3-yl-octan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-(oxan-2-yloxy)-1-pyridin-3-yl-octan-4-yl] 4-methylbenzenesulfonate Openeye Name: [1-[3-(3-pyridyl)propyl]-5-tetrahydropyran-2-yloxy-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-(2-oxanyloxy)-1-(3-pyridinyl)octan-4-yl] ester IUPAC Name: [8-(oxan-2-yloxy)-1-pyridin-3-yloctan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[3-(3-pyridyl)propyl]-5-tetrahydropyran-2-yloxy-pentyl] ester Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCOC2CCCCO2)CCCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCOC2CCCCO2)CCCC3=CN=CC=C3

InChI

InChI=1S/C25H35NO5S/c1-21-13-15-24(16-14-21)32(27,28)31-23(11-6-8-22-9-7-17-26-20-22)10-2-4-18-29-25-12-3-5-19-30-25/h7,9,13-17,20,23,25H,2-6,8,10-12,18-19H2,1H3