[4-(quinolin-4-ylmethoxy)phenyl] [4-(oxidanylcarbamoyl)oxan-4-yl]methanesulfinate

Systemtic Name: [4-(quinolin-4-ylmethoxy)phenyl] [4-(oxidanylcarbamoyl)oxan-4-yl]methanesulfinate Openeye Name: [4-(4-quinolylmethoxy)phenyl] [4-(hydroxycarbamoyl)tetrahydropyran-4-yl]methanesulfinate CAS Name: [4-[(hydroxyamino)-oxomethyl]-4-oxanyl]methanesulfinic acid [4-(4-quinolinylmethoxy)phenyl] ester IUPAC Name: [4-(quinolin-4-ylmethoxy)phenyl] [4-(hydroxycarbamoyl)oxan-4-yl]methanesulfinate Traditional Name: [4-(hydroxycarbamoyl)tetrahydropyran-4-yl]methanesulfinic acid [4-(4-quinolylmethoxy)phenyl] ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CS(=O)OC2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34)C(=O)NO

Isomeric SMILES

C1COCCC1(CS(=O)OC2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34)C(=O)NO

InChI

InChI=1S/C23H24N2O6S/c26-22(25-27)23(10-13-29-14-11-23)16-32(28)31-19-7-5-18(6-8-19)30-15-17-9-12-24-21-4-2-1-3-20(17)21/h1-9,12,27H,10-11,13-16H2,(H,25,26)