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4-[4-[1-[(4-bromophenyl)sulfonylamino]-4,4-dimethyl-pentyl]phenyl]butanoic acid
4-[4-[1-[(4-bromophenyl)sulfonylamino]-4,4-dimethyl-pentyl]phenyl]butanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)CCC(C1=CC=C(C=C1)CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br
Isomeric SMILES
CC(C)(C)CCC(C1=CC=C(C=C1)CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C23H30BrNO4S/c1-23(2,3)16-15-21(25-30(28,29)20-13-11-19(24)12-14-20)18-9-7-17(8-10-18)5-4-6-22(26)27/h7-14,21,25H,4-6,15-16H2,1-3H3,(H,26,27)
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