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

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonyl-2-hydroxy-benzoic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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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)O)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)O)C(=O)O

InChI

InChI=1S/C21H26N2O7S2/c1-21(2,3)15-4-6-16(7-5-15)31(27,28)22-10-12-23(13-11-22)32(29,30)17-8-9-19(24)18(14-17)20(25)26/h4-9,14,24H,10-13H2,1-3H3,(H,25,26)