[4-[[butan-2-yl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-methoxyphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-methoxyphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C24H26FNO6S2 MolecularWeight: 507.594743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FNO6S2/c1-4-18(2)26(33(27,28)23-15-11-21(31-3)12-16-23)17-19-5-9-22(10-6-19)32-34(29,30)24-13-7-20(25)8-14-24/h5-16,18H,4,17H2,1-3H3