[5-(phenylmethyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(phenylmethyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (5-benzyl-2,3-dihydrofuro[2,3-b]pyridin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(phenylmethyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]methyl ester IUPAC Name: (5-benzyl-2,3-dihydrofuro[2,3-b]pyridin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzyl-2,3-dihydrofuro[2,3-b]pyridin-2-yl)methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=CC(=CN=C3O2)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=CC(=CN=C3O2)CC4=CC=CC=C4

InChI

InChI=1S/C22H21NO4S/c1-16-7-9-21(10-8-16)28(24,25)26-15-20-13-19-12-18(14-23-22(19)27-20)11-17-5-3-2-4-6-17/h2-10,12,14,20H,11,13,15H2,1H3