[3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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