3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H24N5O4S2+ MolecularWeight: 474.57636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H23N5O4S2/c1-15(27)16-5-7-17(8-6-16)22-20(28)9-10-25-11-13-26(14-12-25)32(29,30)19-4-2-3-18-21(19)24-31-23-18/h2-8H,9-14H2,1H3,(H,22,28)/p+1