(6-fluoranyl-8-pyridin-2-yl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-fluoranyl-8-pyridin-2-yl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: [6-fluoro-8-(2-pyridyl)chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-fluoro-8-(2-pyridinyl)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: (6-fluoro-8-pyridin-2-yl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-fluoro-8-(2-pyridyl)chroman-2-yl]methyl ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C4=CC=CC=N4

InChI

InChI=1S/C22H20FNO4S/c1-15-5-9-19(10-6-15)29(25,26)27-14-18-8-7-16-12-17(23)13-20(22(16)28-18)21-4-2-3-11-24-21/h2-6,9-13,18H,7-8,14H2,1H3