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

Systemtic Name: 2-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-4,4-dimethyl-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-one Openeye Name: 2-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one CAS Name: 2-[4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one IUPAC Name: 2-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one Traditional Name: 1,1-diketo-2-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]-4,4-dimethyl-1,2-thiazolidin-3-one Formula: C21H27N4O6S2+ MolecularWeight: 495.59228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)N(C1=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1(CS(=O)(=O)N(C1=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H26N4O6S2/c1-21(2)15-32(27,28)25(20(21)26)16-7-8-17(31-3)18(14-16)33(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