[2-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[butan-2-yl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[butan-2-yl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC

InChI

InChI=1S/C20H24FNO5S/c1-4-15(2)22(20(23)14-26-3)13-16-7-5-6-8-19(16)27-28(24,25)18-11-9-17(21)10-12-18/h5-12,15H,4,13-14H2,1-3H3