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

Systemtic Name: [5-[[(4-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-fluorobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(4-fluorophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-fluorobenzoyl)-isobutyl-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(CC(C)C)C(=O)C2=CC=C(C=C2)F)OC

Isomeric SMILES

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

InChI

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