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

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C19H18N5O4S2+ MolecularWeight: 444.50732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C19H17N5O4S2/c25-18-13-4-1-2-5-14(13)19(26)24(18)12-22-8-10-23(11-9-22)30(27,28)16-7-3-6-15-17(16)21-29-20-15/h1-7H,8-12H2/p+1