[5-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclobutanecarbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclobutanecarbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H28FNO5S MolecularWeight: 449.535523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCC3

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

InChI=1S/C23H28FNO5S/c1-16(2)14-25(23(26)18-5-4-6-18)15-17-7-12-21(29-3)22(13-17)30-31(27,28)20-10-8-19(24)9-11-20/h7-13,16,18H,4-6,14-15H2,1-3H3