[3-[[[2,4-bis(fluoranyl)phenyl]carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[[2,4-bis(fluoranyl)phenyl]carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2,4-difluoroanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H21F3N2O5S MolecularWeight: 494.48345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C23H21F3N2O5S/c1-32-12-11-28(23(29)27-22-10-7-18(25)14-21(22)26)15-16-3-2-4-19(13-16)33-34(30,31)20-8-5-17(24)6-9-20/h2-10,13-14H,11-12,15H2,1H3,(H,27,29)