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

Systemtic Name: [3-[[decanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[decanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[1-oxodecyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[decanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[capryl(isopropyl)amino]methyl]phenyl] ester Formula: C26H36FNO4S MolecularWeight: 477.631743

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H36FNO4S/c1-4-5-6-7-8-9-10-14-26(29)28(21(2)3)20-22-12-11-13-24(19-22)32-33(30,31)25-17-15-23(27)16-18-25/h11-13,15-19,21H,4-10,14,20H2,1-3H3