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

Systemtic Name: 8-butyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-3,3-dimethyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-3,3-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-3,3-dimethyl-6-(4-tosylpiperazino)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C26H35N4O2S2+ MolecularWeight: 499.7117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C#N)(C)C

Isomeric SMILES

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)C#N)(C)C

InChI

InChI=1S/C26H34N4O2S2/c1-5-6-7-24-23-18-33-26(3,4)16-21(23)22(17-27)25(28-24)29-12-14-30(15-13-29)34(31,32)20-10-8-19(2)9-11-20/h8-11H,5-7,12-16,18H2,1-4H3/p+1