[2-methoxy-5-[[2-methoxyethyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[benzylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [5-[[benzylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[benzylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H27FN2O6S MolecularWeight: 502.555083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27FN2O6S/c1-32-15-14-28(25(29)27-17-19-6-4-3-5-7-19)18-20-8-13-23(33-2)24(16-20)34-35(30,31)22-11-9-21(26)10-12-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,29)