[4-[[2-methoxyethyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methoxyethyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-[1-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(1-naphthoyl)amino]methyl]phenyl] ester Formula: C27H24FNO5S MolecularWeight: 493.546563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H24FNO5S/c1-33-18-17-29(27(30)26-8-4-6-21-5-2-3-7-25(21)26)19-20-9-13-23(14-10-20)34-35(31,32)24-15-11-22(28)12-16-24/h2-16H,17-19H2,1H3