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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C18H26N5O3S2+ MolecularWeight: 424.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O3S2/c1-13(2)11-16-20-21-18(27-16)19-17(24)14-5-4-6-15(12-14)28(25,26)23-9-7-22(3)8-10-23/h4-6,12-13H,7-11H2,1-3H3,(H,19,21,24)/p+1