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

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-fluoro-benzoic acid CAS Name: 5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonyl-2-fluoro-benzoic acid Formula: C21H25FN2O6S2 MolecularWeight: 484.561403

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O6S2/c1-21(2,3)15-4-6-16(7-5-15)31(27,28)23-10-12-24(13-11-23)32(29,30)17-8-9-19(22)18(14-17)20(25)26/h4-9,14H,10-13H2,1-3H3,(H,25,26)