[3-[[(3-fluorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[(3-fluorophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[(3-fluorobenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[(3-fluorophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-fluorobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[(3-fluorobenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C26H26FNO6S MolecularWeight: 499.551143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CN(CC3CCCO3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CN(CC3CCCO3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H26FNO6S/c1-32-22-10-12-25(13-11-22)35(30,31)34-23-8-2-5-19(15-23)17-28(18-24-9-4-14-33-24)26(29)20-6-3-7-21(27)16-20/h2-3,5-8,10-13,15-16,24H,4,9,14,17-18H2,1H3