[5-[[(4-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-butylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H32FNO6S MolecularWeight: 529.620183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H32FNO6S/c1-4-5-6-21-7-10-23(11-8-21)28(31)30(17-18-34-2)20-22-9-16-26(35-3)27(19-22)36-37(32,33)25-14-12-24(29)13-15-25/h7-16,19H,4-6,17-18,20H2,1-3H3