4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-2,1,3-benzothiadiazole

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-2,1,3-benzothiadiazole Openeye Name: 4-[[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]sulfonyl]-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-2,1,3-benzothiadiazole Traditional Name: 4-[[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]sulfonyl]piazthiole Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H22N4O2S2/c1-15-6-8-16(9-7-15)14-22-10-3-11-23(13-12-22)27(24,25)18-5-2-4-17-19(18)21-26-20-17/h2,4-9H,3,10-14H2,1H3/p+1