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

Systemtic Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-one Openeye Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,1-dioxo-1,2-thiazolidin-3-one CAS Name: 2-[4-ethoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one IUPAC Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one Traditional Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]-1,1-diketo-1,2-thiazolidin-3-one Formula: C20H25N4O6S2+ MolecularWeight: 481.5657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N2C(=O)CCS2(=O)=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=C(C=C(C=C1)N2C(=O)CCS2(=O)=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N4O6S2/c1-2-30-17-7-6-16(24-20(25)8-14-31(24,26)27)15-18(17)32(28,29)23-12-10-22(11-13-23)19-5-3-4-9-21-19/h3-7,9,15H,2,8,10-14H2,1H3/p+1