5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-2-sulfonamide

Systemtic Name: 5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-2-sulfonamide Openeye Name: 5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-2-sulfonamide CAS Name: 5-[7-[4-(methylthio)phenyl]-8-spiro[4.4]nona-6,8-dienyl]-2-pyridinesulfonamide IUPAC Name: 5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-2-sulfonamide Traditional Name: 5-[7-[4-(methylthio)phenyl]spiro[4.4]nona-6,8-dien-8-yl]pyridine-2-sulfonamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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