(3-oxidanyl-5-pyridin-3-yl-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-5-pyridin-3-yl-pentyl) 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-5-(3-pyridyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-5-(3-pyridinyl)pentyl] ester IUPAC Name: (3-hydroxy-5-pyridin-3-ylpentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-5-(3-pyridyl)pentyl] ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCC2=CN=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCC2=CN=CC=C2)O

InChI

InChI=1S/C17H21NO4S/c1-14-4-8-17(9-5-14)23(20,21)22-12-10-16(19)7-6-15-3-2-11-18-13-15/h2-5,8-9,11,13,16,19H,6-7,10,12H2,1H3