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

Systemtic Name: [3-[[butan-2-yl-(4-tert-butylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-tert-butylbenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(4-tert-butylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-tert-butylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-tert-butylbenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C28H32FNO4S MolecularWeight: 497.621383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FNO4S/c1-6-20(2)30(27(31)22-10-12-23(13-11-22)28(3,4)5)19-21-8-7-9-25(18-21)34-35(32,33)26-16-14-24(29)15-17-26/h7-18,20H,6,19H2,1-5H3