[5-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(4-fluorophenyl)methyl-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-fluorobenzyl)-isobutyryl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO5S/c1-5-29(25,26)28-20-12-17(8-11-19(20)27-4)14-23(21(24)15(2)3)13-16-6-9-18(22)10-7-16/h6-12,15H,5,13-14H2,1-4H3