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

Systemtic Name: [3-[[butan-2-yl(decanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[decanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(decanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[capryl(sec-butyl)amino]methyl]phenyl] ester Formula: C27H38FNO4S MolecularWeight: 491.658323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38FNO4S/c1-4-6-7-8-9-10-11-15-27(30)29(22(3)5-2)21-23-13-12-14-25(20-23)33-34(31,32)26-18-16-24(28)17-19-26/h12-14,16-20,22H,4-11,15,21H2,1-3H3