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

Systemtic Name: [5-[[butan-2-yl(2-phenylmethoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2-benzyloxyacetyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-phenylmethoxyacetyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2-benzoxyacetyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C27H30FNO6S MolecularWeight: 515.593603

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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)COCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C27H30FNO6S/c1-4-20(2)29(27(30)19-34-18-21-8-6-5-7-9-21)17-22-10-15-25(33-3)26(16-22)35-36(31,32)24-13-11-23(28)12-14-24/h5-16,20H,4,17-19H2,1-3H3