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

Systemtic Name: [3-[[2-methoxyethyl(phenylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(phenylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[anilino(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(phenylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(phenylcarbamoyl)amino]methyl]phenyl] ester Formula: C23H23FN2O5S MolecularWeight: 458.502523

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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=CC=C3

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H23FN2O5S/c1-30-15-14-26(23(27)25-20-7-3-2-4-8-20)17-18-6-5-9-21(16-18)31-32(28,29)22-12-10-19(24)11-13-22/h2-13,16H,14-15,17H2,1H3,(H,25,27)