3-(2-azanylethoxy)-5-[5-(5,6-dimethoxypyridin-3-yl)oxolan-2-yl]-2-propoxy-benzenesulfinate

Systemtic Name: 3-(2-azanylethoxy)-5-[5-(5,6-dimethoxypyridin-3-yl)oxolan-2-yl]-2-propoxy-benzenesulfinate Openeye Name: 3-(2-aminoethoxy)-5-[5-(5,6-dimethoxy-3-pyridyl)tetrahydrofuran-2-yl]-2-propoxy-benzenesulfinate CAS Name: 3-(2-aminoethoxy)-5-[5-(5,6-dimethoxy-3-pyridinyl)-2-oxolanyl]-2-propoxybenzenesulfinate IUPAC Name: 3-(2-aminoethoxy)-5-[5-(5,6-dimethoxypyridin-3-yl)oxolan-2-yl]-2-propoxybenzenesulfinate Traditional Name: 3-(2-aminoethoxy)-5-[5-(5,6-dimethoxy-3-pyridyl)tetrahydrofuran-2-yl]-2-propoxy-benzenesulfinate Formula: C22H29N2O7S- MolecularWeight: 465.53986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1S(=O)[O-])C2CCC(O2)C3=CC(=C(N=C3)OC)OC)OCCN

Isomeric SMILES

CCCOC1=C(C=C(C=C1S(=O)[O-])C2CCC(O2)C3=CC(=C(N=C3)OC)OC)OCCN

InChI

InChI=1S/C22H30N2O7S/c1-4-8-30-21-18(29-9-7-23)10-14(12-20(21)32(25)26)16-5-6-17(31-16)15-11-19(27-2)22(28-3)24-13-15/h10-13,16-17H,4-9,23H2,1-3H3,(H,25,26)/p-1