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

Systemtic Name: N-aminocarbonyl-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-carbamoyl-propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-carbamoylpropanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-carbamoylpropanamide Traditional Name: N-carbamoyl-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C14H19N6O4S2+ MolecularWeight: 399.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC(=O)N)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC(=O)N)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C14H18N6O4S2/c15-14(22)16-12(21)4-5-19-6-8-20(9-7-19)26(23,24)11-3-1-2-10-13(11)18-25-17-10/h1-3H,4-9H2,(H3,15,16,21,22)/p+1