4-methyl-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-methyl-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-methyl-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]sulfonyl-benzoic acid Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

InChI

InChI=1S/C22H28N2O6S2/c1-14-6-7-19(22(25)26)13-20(14)31(27,28)23-8-10-24(11-9-23)32(29,30)21-17(4)15(2)12-16(3)18(21)5/h6-7,12-13H,8-11H2,1-5H3,(H,25,26)