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

Systemtic Name: [4-[[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(1-naphthylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ester Formula: C27H25FN2O5S MolecularWeight: 508.561203

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H25FN2O5S/c1-34-18-17-30(27(31)29-26-8-4-6-21-5-2-3-7-25(21)26)19-20-9-13-23(14-10-20)35-36(32,33)24-15-11-22(28)12-16-24/h2-16H,17-19H2,1H3,(H,29,31)