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

Systemtic Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-cyanoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H22FN3O5S MolecularWeight: 483.511983

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O5S/c1-32-13-12-28(24(29)27-21-6-2-4-18(14-21)16-26)17-19-5-3-7-22(15-19)33-34(30,31)23-10-8-20(25)9-11-23/h2-11,14-15H,12-13,17H2,1H3,(H,27,29)