[3-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C22H29FN2O4S MolecularWeight: 436.540063

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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)NC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H29FN2O4S/c1-16(2)14-25(21(26)24-22(3,4)5)15-17-7-6-8-19(13-17)29-30(27,28)20-11-9-18(23)10-12-20/h6-13,16H,14-15H2,1-5H3,(H,24,26)