N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C22H26N5O3S2+ MolecularWeight: 472.60354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-2-20-24-25-22(31-20)23-21(28)18-8-10-19(11-9-18)32(29,30)27-14-12-26(13-15-27)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,23,25,28)/p+1