3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H21N5O3S/c1-15-6-8-16(9-7-15)28(26,27)23-12-10-22(11-13-23)14-24-19(25)17-4-2-3-5-18(17)20-21-24/h2-9H,10-14H2,1H3/p+1