5-cyano-3,3-dimethyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate

Systemtic Name: 5-cyano-3,3-dimethyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate Openeye Name: 5-cyano-3,3-dimethyl-8-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate CAS Name: 5-cyano-3,3-dimethyl-8-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate IUPAC Name: 5-cyano-3,3-dimethyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate Traditional Name: 5-cyano-3,3-dimethyl-8-(4-tosylpiperazino)-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate Formula: C22H25N4O3S2- MolecularWeight: 457.5889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4COC(CC4=C(C(=N3)[S-])C#N)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4COC(CC4=C(C(=N3)[S-])C#N)(C)C

InChI

InChI=1S/C22H26N4O3S2/c1-15-4-6-16(7-5-15)31(27,28)26-10-8-25(9-11-26)20-19-14-29-22(2,3)12-17(19)18(13-23)21(30)24-20/h4-7H,8-12,14H2,1-3H3,(H,24,30)/p-1