2-(2-chlorophenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(2-chlorophenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2-chlorophenyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(2-chlorophenyl)-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(2-chlorophenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2-chlorophenyl)-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C21H23ClN3O2S2+ MolecularWeight: 449.00922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O2S2/c1-16-6-8-18(9-7-16)29(26,27)25-12-10-24(11-13-25)14-17-15-28-21(23-17)19-4-2-3-5-20(19)22/h2-9,15H,10-14H2,1H3/p+1