8-ethyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 8-ethyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-3,3-dimethyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-3,3-dimethyl-6-(4-tosylpiperazino)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C24H31N4O2S2+ MolecularWeight: 471.65854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C#N)(C)C

InChI

InChI=1S/C24H30N4O2S2/c1-5-22-21-16-31-24(3,4)14-19(21)20(15-25)23(26-22)27-10-12-28(13-11-27)32(29,30)18-8-6-17(2)7-9-18/h6-9H,5,10-14,16H2,1-4H3/p+1