3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonyl-4,5-dimethyl-benzoic acid Formula: C23H30N2O6S2 MolecularWeight: 494.6241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S2/c1-16-14-18(22(26)27)15-21(17(16)2)33(30,31)25-12-10-24(11-13-25)32(28,29)20-8-6-19(7-9-20)23(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,26,27)