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

Systemtic Name: [4-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2-ethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN2O5S/c1-3-20-6-4-5-7-24(20)27-25(29)28(16-17-32-2)18-19-8-12-22(13-9-19)33-34(30,31)23-14-10-21(26)11-15-23/h4-15H,3,16-18H2,1-2H3,(H,27,29)