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

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)propanamide Traditional Name: N-(2-chlorophenyl)-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C19H21ClN5O3S2+ MolecularWeight: 466.98474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20ClN5O3S2/c20-14-4-1-2-5-15(14)21-18(26)8-9-24-10-12-25(13-11-24)30(27,28)17-7-3-6-16-19(17)23-29-22-16/h1-7H,8-13H2,(H,21,26)/p+1