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

Systemtic Name: [3-[[hexanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[hexanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[1-oxohexyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[hexanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[caproyl(isopropyl)amino]methyl]phenyl] ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO4S/c1-4-5-6-10-22(25)24(17(2)3)16-18-8-7-9-20(15-18)28-29(26,27)21-13-11-19(23)12-14-21/h7-9,11-15,17H,4-6,10,16H2,1-3H3