3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]pyridine

Systemtic Name: 3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]pyridine Openeye Name: 3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]pyridine CAS Name: 3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]pyridine IUPAC Name: 3-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]pyridine Traditional Name: 3-[[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methyl]pyridine Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC4=CN=CC=C4)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC4=CN=CC=C4)OCO3

InChI

InChI=1S/C20H17NO4S/c1-26(22,23)17-6-4-15(5-7-17)18-11-20-19(24-13-25-20)10-16(18)9-14-3-2-8-21-12-14/h2-8,10-12H,9,13H2,1H3