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

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-cyanophenyl)propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: N-(2-cyanophenyl)-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C20H21N6O3S2+ MolecularWeight: 457.54914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H20N6O3S2/c21-14-15-4-1-2-5-16(15)22-19(27)8-9-25-10-12-26(13-11-25)31(28,29)18-7-3-6-17-20(18)24-30-23-17/h1-7H,8-13H2,(H,22,27)/p+1