3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonylbenzoic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-21(2,3)17-7-9-18(10-8-17)30(26,27)22-11-13-23(14-12-22)31(28,29)19-6-4-5-16(15-19)20(24)25/h4-10,15H,11-14H2,1-3H3,(H,24,25)