4-[7-(6-methylsulfanylpyridin-3-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide

Systemtic Name: 4-[7-(6-methylsulfanylpyridin-3-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Openeye Name: 4-[7-(6-methylsulfanyl-3-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide CAS Name: 4-[7-[6-(methylthio)-3-pyridinyl]-6-spiro[3.4]octa-5,7-dienyl]benzenesulfonamide IUPAC Name: 4-[7-(6-methylsulfanylpyridin-3-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Traditional Name: 4-[7-[6-(methylthio)-3-pyridyl]spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CSC1=NC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H20N2O2S2/c1-25-19-8-5-15(13-22-19)18-12-20(9-2-10-20)11-17(18)14-3-6-16(7-4-14)26(21,23)24/h3-8,11-13H,2,9-10H2,1H3,(H2,21,23,24)