1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-3-(oxidanylamino)-3-oxidanylidene-propane-1-sulfinate

Systemtic Name: 1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-3-(oxidanylamino)-3-oxidanylidene-propane-1-sulfinate Openeye Name: 3-(hydroxyamino)-1-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]-3-oxo-propane-1-sulfinate CAS Name: 3-(hydroxyamino)-1-[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-3-oxo-1-propanesulfinate IUPAC Name: 3-(hydroxyamino)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-3-oxopropane-1-sulfinate Traditional Name: 3-(hydroxyamino)-3-keto-1-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]propane-1-sulfinate Formula: C20H19N2O5S- MolecularWeight: 399.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(CC(=O)NO)S(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(CC(=O)NO)S(=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-13-10-15(17-4-2-3-5-18(17)21-13)12-27-16-8-6-14(7-9-16)19(28(25)26)11-20(23)22-24/h2-10,19,24H,11-12H2,1H3,(H,22,23)(H,25,26)/p-1