[2-methoxy-5-[[(4-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[(4-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl-(4-methylbenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[[(4-methylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methylbenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropyl(p-toluoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C25H26FNO5S/c1-17(2)27(25(28)20-8-5-18(3)6-9-20)16-19-7-14-23(31-4)24(15-19)32-33(29,30)22-12-10-21(26)11-13-22/h5-15,17H,16H2,1-4H3