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

Systemtic Name: [5-[[butan-2-yl(cyclopentylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclopentanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[cyclopentyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(cyclopentanecarbonyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclopentanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H30FNO5S MolecularWeight: 463.562103

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)C3CCCC3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCC3

InChI

InChI=1S/C24H30FNO5S/c1-4-17(2)26(24(27)19-7-5-6-8-19)16-18-9-14-22(30-3)23(15-18)31-32(28,29)21-12-10-20(25)11-13-21/h9-15,17,19H,4-8,16H2,1-3H3