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

Systemtic Name: [5-[[butan-2-yl-(2-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[(2-methylbenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(2-methylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-methylbenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[o-toluoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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)C3=CC=CC=C3C

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H28FNO5S/c1-5-19(3)28(26(29)23-9-7-6-8-18(23)2)17-20-10-15-24(32-4)25(16-20)33-34(30,31)22-13-11-21(27)12-14-22/h6-16,19H,5,17H2,1-4H3