4-[8-(6-methylsulfanylpyridin-3-yl)spiro[4.4]nona-6,8-dien-7-yl]benzenesulfonamide

Systemtic Name: 4-[8-(6-methylsulfanylpyridin-3-yl)spiro[4.4]nona-6,8-dien-7-yl]benzenesulfonamide Openeye Name: 4-[8-(6-methylsulfanyl-3-pyridyl)spiro[4.4]nona-6,8-dien-7-yl]benzenesulfonamide CAS Name: 4-[8-[6-(methylthio)-3-pyridinyl]-7-spiro[4.4]nona-6,8-dienyl]benzenesulfonamide IUPAC Name: 4-[8-(6-methylsulfanylpyridin-3-yl)spiro[4.4]nona-6,8-dien-7-yl]benzenesulfonamide Traditional Name: 4-[8-[6-(methylthio)-3-pyridyl]spiro[4.4]nona-6,8-dien-7-yl]benzenesulfonamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=C1)C2=CC3(CCCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CSC1=NC=C(C=C1)C2=CC3(CCCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H22N2O2S2/c1-26-20-9-6-16(14-23-20)19-13-21(10-2-3-11-21)12-18(19)15-4-7-17(8-5-15)27(22,24)25/h4-9,12-14H,2-3,10-11H2,1H3,(H2,22,24,25)