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

Systemtic Name: [3-[[(4-fluorophenyl)methyl-(2-methoxyethanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[(4-fluorobenzyl)-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)COC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)COC

InChI

InChI=1S/C20H24FNO5S/c1-15(2)28(24,25)27-19-6-4-5-17(11-19)13-22(20(23)14-26-3)12-16-7-9-18(21)10-8-16/h4-11,15H,12-14H2,1-3H3