3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonyl-4-methoxy-benzoic acid Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S2/c1-22(2,3)17-6-8-18(9-7-17)32(27,28)23-11-13-24(14-12-23)33(29,30)20-15-16(21(25)26)5-10-19(20)31-4/h5-10,15H,11-14H2,1-4H3,(H,25,26)