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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C16H22N5O3S2+ MolecularWeight: 396.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H21N5O3S2/c1-3-14-18-19-16(25-14)17-15(22)12-5-4-6-13(11-12)26(23,24)21-9-7-20(2)8-10-21/h4-6,11H,3,7-10H2,1-2H3,(H,17,19,22)/p+1