2-[5-(4-azanyl-2-oxidanyl-phenoxy)pentyl]isoindole-1,3-dione; methanesulfonate

Systemtic Name: 2-[5-(4-azanyl-2-oxidanyl-phenoxy)pentyl]isoindole-1,3-dione; methanesulfonate Openeye Name: 2-[5-(4-amino-2-hydroxy-phenoxy)pentyl]isoindoline-1,3-dione; methanesulfonate CAS Name: 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione; methanesulfonate IUPAC Name: 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione; methanesulfonate Traditional Name: 2-[5-(4-amino-2-hydroxy-phenoxy)pentyl]isoindoline-1,3-quinone mesylate Formula: C20H23N2O7S- MolecularWeight: 435.47082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)O

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)O

InChI

InChI=1S/C19H20N2O4.CH4O3S/c20-13-8-9-17(16(22)12-13)25-11-5-1-4-10-21-18(23)14-6-2-3-7-15(14)19(21)24;1-5(2,3)4/h2-3,6-9,12,22H,1,4-5,10-11,20H2;1H3,(H,2,3,4)/p-1