[2-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H29FN2O4S/c1-6-16(2)25(21(26)24-22(3,4)5)15-17-9-7-8-10-20(17)29-30(27,28)19-13-11-18(23)12-14-19/h7-14,16H,6,15H2,1-5H3,(H,24,26)