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

Systemtic Name: [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29FN2O6S MolecularWeight: 468.538863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O6S/c1-22(2,3)24-21(26)25(12-13-29-4)15-16-6-11-19(30-5)20(14-16)31-32(27,28)18-9-7-17(23)8-10-18/h6-11,14H,12-13,15H2,1-5H3,(H,24,26)