3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide Formula: C14H18N5O3S2+ MolecularWeight: 368.45442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=CS3

InChI

InChI=1S/C14H17N5O3S2/c1-18-5-7-19(8-6-18)24(21,22)12-4-2-3-11(9-12)13(20)16-14-17-15-10-23-14/h2-4,9-10H,5-8H2,1H3,(H,16,17,20)/p+1