5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonyl-2-methyl-benzoic acid Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S2/c1-16-5-8-19(15-20(16)21(25)26)32(29,30)24-13-11-23(12-14-24)31(27,28)18-9-6-17(7-10-18)22(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,25,26)