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

Systemtic Name: [3-[[(4-fluorophenyl)methyl-(2-methoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-fluorophenyl)methyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)methyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-fluorobenzyl)-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C19H22FNO5S MolecularWeight: 395.445083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO5S/c1-3-27(23,24)26-18-6-4-5-16(11-18)13-21(19(22)14-25-2)12-15-7-9-17(20)10-8-15/h4-11H,3,12-14H2,1-2H3