N-(2,1,3-benzothiadiazol-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-piazthiol-4-yl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18N5O3S3+ MolecularWeight: 424.54082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N5O3S3/c22-14(17-12-3-1-4-13-16(12)19-26-18-13)11-20-6-8-21(9-7-20)27(23,24)15-5-2-10-25-15/h1-5,10H,6-9,11H2,(H,17,22)/p+1