2-methyl-5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine

Systemtic Name: 2-methyl-5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine Openeye Name: 2-methyl-5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine CAS Name: 2-methyl-5-[6-(4-methylsulfonylphenyl)-7-spiro[3.4]octa-5,7-dienyl]pyridine IUPAC Name: 2-methyl-5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine Traditional Name: 5-[6-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methyl-pyridine Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H21NO2S/c1-15-4-5-17(14-22-15)20-13-21(10-3-11-21)12-19(20)16-6-8-18(9-7-16)25(2,23)24/h4-9,12-14H,3,10-11H2,1-2H3