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

Systemtic Name: [5-[[butan-2-yl(phenylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[benzoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[benzoyl(butan-2-yl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[benzoyl(butan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[benzoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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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)C3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26FNO5S/c1-4-18(2)27(25(28)20-8-6-5-7-9-20)17-19-10-15-23(31-3)24(16-19)32-33(29,30)22-13-11-21(26)12-14-22/h5-16,18H,4,17H2,1-3H3