4-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-methyl-3-(4-tosylpiperazino)sulfonyl-benzoic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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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=CC(=C3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-14-3-7-17(8-4-14)28(24,25)20-9-11-21(12-10-20)29(26,27)18-13-16(19(22)23)6-5-15(18)2/h3-8,13H,9-12H2,1-2H3,(H,22,23)