[2-methoxy-5-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isobutyl(pentanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methylpropyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isobutyl(valeryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H30FNO5S MolecularWeight: 451.551403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FNO5S/c1-5-6-7-23(26)25(15-17(2)3)16-18-8-13-21(29-4)22(14-18)30-31(27,28)20-11-9-19(24)10-12-20/h8-14,17H,5-7,15-16H2,1-4H3