[3-[[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-ethoxyanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(p-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C25H27FN2O6S MolecularWeight: 502.555083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN2O6S/c1-3-33-22-11-9-21(10-12-22)27-25(29)28(15-16-32-2)18-19-5-4-6-23(17-19)34-35(30,31)24-13-7-20(26)8-14-24/h4-14,17H,3,15-16,18H2,1-2H3,(H,27,29)