[2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyryl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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