6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-(2-methylsulfonylethyl)pyridazin-3-one

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-(2-methylsulfonylethyl)pyridazin-3-one Openeye Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-(2-methylsulfonylethyl)pyridazin-3-one CAS Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-2-(2-methylsulfonylethyl)-3-pyridazinone IUPAC Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-(2-methylsulfonylethyl)pyridazin-3-one Traditional Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-(2-mesylethyl)pyridazin-3-one Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(=C(C2=CC=CC=C2O1)NC3=NN(C(=O)C=C3)CCS(=O)(=O)C)O)COC

Isomeric SMILES

COCC1(C(=C(C2=CC=CC=C2O1)NC3=NN(C(=O)C=C3)CCS(=O)(=O)C)O)COC

InChI

InChI=1S/C20H25N3O7S/c1-28-12-20(13-29-2)19(25)18(14-6-4-5-7-15(14)30-20)21-16-8-9-17(24)23(22-16)10-11-31(3,26)27/h4-9,25H,10-13H2,1-3H3,(H,21,22)