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

Systemtic Name: [4-[[butan-2-yl-(4-tert-butylphenyl)sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C27H32FNO5S2 MolecularWeight: 533.675083

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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)C(C)(C)C

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)C(C)(C)C

InChI

InChI=1S/C27H32FNO5S2/c1-6-20(2)29(35(30,31)25-15-9-22(10-16-25)27(3,4)5)19-21-7-13-24(14-8-21)34-36(32,33)26-17-11-23(28)12-18-26/h7-18,20H,6,19H2,1-5H3