N-(4-methylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine

Systemtic Name: N-(4-methylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-N-(p-tolyl)thiazol-2-amine CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-N-(4-methylphenyl)-2-thiazolamine IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine Traditional Name: [4-[(4-besylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]-(p-tolyl)amine Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S2/c1-17-7-9-18(10-8-17)22-21-23-19(16-28-21)15-24-11-13-25(14-12-24)29(26,27)20-5-3-2-4-6-20/h2-10,16H,11-15H2,1H3,(H,22,23)/p+1