2,4-bis(chloranyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-(4-tosylpiperazino)sulfonyl-benzoic acid Formula: C18H18Cl2N2O6S2 MolecularWeight: 493.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O6S2/c1-12-2-4-13(5-3-12)29(25,26)21-6-8-22(9-7-21)30(27,28)17-10-14(18(23)24)15(19)11-16(17)20/h2-5,10-11H,6-9H2,1H3,(H,23,24)