[3-[[butan-2-yl(dodecanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[butan-2-yl(dodecanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[dodecanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl(1-oxododecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(dodecanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[lauroyl(sec-butyl)amino]methyl]phenyl] ester Formula: C29H42FNO4S MolecularWeight: 519.711483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42FNO4S/c1-4-6-7-8-9-10-11-12-13-17-29(32)31(24(3)5-2)23-25-15-14-16-27(22-25)35-36(33,34)28-20-18-26(30)19-21-28/h14-16,18-22,24H,4-13,17,23H2,1-3H3