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

Systemtic Name: [5-[[butan-2-yl(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27FN2O5S MolecularWeight: 438.512883

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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O5S/c1-5-15(3)24(21(25)23-6-2)14-16-7-12-19(28-4)20(13-16)29-30(26,27)18-10-8-17(22)9-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)