[5-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(4-fluorophenyl)methyl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-fluorobenzyl)-isovaleryl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H28FNO5S MolecularWeight: 437.524823

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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)CC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO5S/c1-5-30(26,27)29-21-13-18(8-11-20(21)28-4)15-24(22(25)12-16(2)3)14-17-6-9-19(23)10-7-17/h6-11,13,16H,5,12,14-15H2,1-4H3