(3-methylpyridin-2-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone

Systemtic Name: (3-methylpyridin-2-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Openeye Name: (3-methyl-2-pyridyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone CAS Name: (3-methyl-2-pyridinyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone IUPAC Name: (3-methylpyridin-2-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Traditional Name: [6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-(3-methyl-2-pyridyl)methanone Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(=O)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CC1=C(N=CC=C1)C(=O)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C21H17NO5S/c1-13-4-3-9-22-20(13)21(23)17-11-19-18(26-12-27-19)10-16(17)14-5-7-15(8-6-14)28(2,24)25/h3-11H,12H2,1-2H3