[4-chloranyl-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H24ClFN2O4S MolecularWeight: 442.931963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)CC(C)C

Isomeric SMILES

CCNC(=O)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F)CC(C)C

InChI

InChI=1S/C20H24ClFN2O4S/c1-4-23-20(25)24(12-14(2)3)13-15-11-16(21)5-10-19(15)28-29(26,27)18-8-6-17(22)7-9-18/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)