6-[[(3S,4R)-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[[(3S,4R)-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-2-methyl-pyridazin-3-one Openeye Name: 6-[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-chroman-4-yl]oxy-2-methyl-pyridazin-3-one CAS Name: 6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-2-methyl-3-pyridazinone IUPAC Name: 6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one Traditional Name: 6-[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-chroman-4-yl]oxy-2-methyl-pyridazin-3-one Formula: C23H24N2O7S MolecularWeight: 472.51086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)O)OC4=NN(C(=O)C=C4)C)(C)O)C

Isomeric SMILES

C[C@@]1([C@@H](C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)O)OC1(C)C)OC4=NN(C(=O)C=C4)C)O

InChI

InChI=1S/C23H24N2O7S/c1-22(2)23(3,28)21(31-19-10-11-20(27)25(4)24-19)17-13-16(8-9-18(17)32-22)33(29,30)15-7-5-6-14(26)12-15/h5-13,21,26,28H,1-4H3/t21-,23+/m1/s1