[5-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1,3-benzodioxole-5-carbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropyl(piperonyloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H24FNO7S MolecularWeight: 501.523963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24FNO7S/c1-16(2)27(25(28)18-5-11-22-23(13-18)33-15-32-22)14-17-4-10-21(31-3)24(12-17)34-35(29,30)20-8-6-19(26)7-9-20/h4-13,16H,14-15H2,1-3H3