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

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C20H24N5O3S3+ MolecularWeight: 478.63126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H23N5O3S3/c1-29-17-7-3-2-5-15(17)21-19(26)9-10-24-11-13-25(14-12-24)31(27,28)18-8-4-6-16-20(18)23-30-22-16/h2-8H,9-14H2,1H3,(H,21,26)/p+1