[5-[[butan-2-yl-(2-phenylcyclopropyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl-(2-phenylcyclopropyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[(2-phenylcyclopropanecarbonyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[oxo-(2-phenylcyclopropyl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-phenylcyclopropanecarbonyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[(2-phenylcyclopropanecarbonyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C28H30FNO5S MolecularWeight: 511.604903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3C4=CC=CC=C4

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C28H30FNO5S/c1-4-19(2)30(28(31)25-17-24(25)21-8-6-5-7-9-21)18-20-10-15-26(34-3)27(16-20)35-36(32,33)23-13-11-22(29)12-14-23/h5-16,19,24-25H,4,17-18H2,1-3H3