4,4-dimethyl-2-[3-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-one

Systemtic Name: 4,4-dimethyl-2-[3-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-one Openeye Name: 4,4-dimethyl-2-[3-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,1-dioxo-1,2-thiazolidin-3-one CAS Name: 4,4-dimethyl-2-[3-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one IUPAC Name: 4,4-dimethyl-2-[3-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one Traditional Name: 1,1-diketo-4,4-dimethyl-2-[3-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]-1,2-thiazolidin-3-one Formula: C21H27N4O5S2+ MolecularWeight: 479.59288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(CS2(=O)=O)(C)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C(CS2(=O)=O)(C)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O5S2/c1-16-14-17(25-20(26)21(2,3)15-31(25,27)28)7-8-18(16)32(29,30)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14H,10-13,15H2,1-3H3/p+1