[3-[[2-(4-methoxyphenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-(4-methoxyphenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[2-(4-methoxyphenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[2-(4-methoxyphenyl)acetyl]-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H26FNO5S/c1-18(2)27(25(28)16-19-7-11-22(31-3)12-8-19)17-20-5-4-6-23(15-20)32-33(29,30)24-13-9-21(26)10-14-24/h4-15,18H,16-17H2,1-3H3