[3-[[(4-fluorophenyl)methylamino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(4-fluorophenyl)methylamino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C17H20FNO3S MolecularWeight: 337.409003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CNCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CNCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FNO3S/c1-13(2)23(20,21)22-17-5-3-4-15(10-17)12-19-11-14-6-8-16(18)9-7-14/h3-10,13,19H,11-12H2,1-2H3