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

Systemtic Name: [3-[[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C24H22F4N2O5S MolecularWeight: 526.500493

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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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H22F4N2O5S/c1-34-14-13-30(23(31)29-20-9-5-18(6-10-20)24(26,27)28)16-17-3-2-4-21(15-17)35-36(32,33)22-11-7-19(25)8-12-22/h2-12,15H,13-14,16H2,1H3,(H,29,31)