[4-(4-fluorophenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-fluorophenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-1-methyl-3-pyrrolidinyl]methyl ester IUPAC Name: [4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-1-methyl-pyrrolidin-3-yl]methyl ester Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CC2C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CC2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H22FNO3S/c1-14-3-9-18(10-4-14)25(22,23)24-13-16-11-21(2)12-19(16)15-5-7-17(20)8-6-15/h3-10,16,19H,11-13H2,1-2H3