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

Systemtic Name: [5-[[butan-2-yl-(4-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-fluorobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(4-fluorophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-fluorobenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-fluorobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H25F2NO5S MolecularWeight: 489.531506

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C25H25F2NO5S/c1-4-17(2)28(25(29)19-6-8-20(26)9-7-19)16-18-5-14-23(32-3)24(15-18)33-34(30,31)22-12-10-21(27)11-13-22/h5-15,17H,4,16H2,1-3H3