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

Systemtic Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-N-thiazol-2-yl-benzamide CAS Name: 4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-N-(2-thiazolyl)benzamide IUPAC Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-N-thiazol-2-yl-benzamide Formula: C20H22N5O4S2+ MolecularWeight: 460.54978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC=CS2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC=CS2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O4S2/c1-29-16-6-5-15(19(26)23-20-22-8-13-30-20)14-17(16)31(27,28)25-11-9-24(10-12-25)18-4-2-3-7-21-18/h2-8,13-14H,9-12H2,1H3,(H,22,23,26)/p+1