1-[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C18H22ClN2O4S2+ MolecularWeight: 429.96128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H21ClN2O4S2/c1-14-3-6-17(26(22,23)16-7-4-15(19)5-8-16)13-18(14)27(24,25)21-11-9-20(2)10-12-21/h3-8,13H,9-12H2,1-2H3/p+1