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

Systemtic Name: [5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(tert-butylamino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31FN2O5S MolecularWeight: 466.566043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C23H31FN2O5S/c1-7-16(2)26(22(27)25-23(3,4)5)15-17-8-13-20(30-6)21(14-17)31-32(28,29)19-11-9-18(24)10-12-19/h8-14,16H,7,15H2,1-6H3,(H,25,27)