[3-[[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(1-naphthylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

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