[5-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29FN2O5S MolecularWeight: 452.539463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O5S/c1-15(2)25(21(26)24-22(3,4)5)14-16-7-12-19(29-6)20(13-16)30-31(27,28)18-10-8-17(23)9-11-18/h7-13,15H,14H2,1-6H3,(H,24,26)