[5-[[(4-fluorophenyl)methyl-(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[(4-fluorophenyl)methyl-(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[(4-fluorobenzyl)-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26FNO6S MolecularWeight: 439.497643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO6S/c1-15(2)30(25,26)29-20-11-17(7-10-19(20)28-4)13-23(21(24)14-27-3)12-16-5-8-18(22)9-6-16/h5-11,15H,12-14H2,1-4H3