4-azanyl-2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C19H19N6O4S2+ MolecularWeight: 459.52196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)N)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)N)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C19H18N6O4S2/c20-13-4-1-3-12-16(13)19(27)25(18(12)26)11-23-7-9-24(10-8-23)31(28,29)15-6-2-5-14-17(15)22-30-21-14/h1-6H,7-11,20H2/p+1