N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C21H25N6O4S2+ MolecularWeight: 489.591

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N6O4S2/c1-3-19-24-25-21(32-19)23-20(28)15-7-8-16(31-2)17(14-15)33(29,30)27-12-10-26(11-13-27)18-6-4-5-9-22-18/h4-9,14H,3,10-13H2,1-2H3,(H,23,25,28)/p+1