[5-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-(2-methoxy-1-oxoethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-methoxyacetyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C21H26FNO6S MolecularWeight: 439.497643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO6S/c1-5-15(2)23(21(24)14-27-3)13-16-6-11-19(28-4)20(12-16)29-30(25,26)18-9-7-17(22)8-10-18/h6-12,15H,5,13-14H2,1-4H3