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4-[4-(2,6-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid
4-[4-(2,6-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC=C3OC)OC)C(=O)O)C
Isomeric SMILES
CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC=C3OC)OC)C(=O)O)C
InChI
InChI=1S/C21H25NO6S2/c1-21(2)19(20(23)24)22(12-13-29-21)30(25,26)15-10-8-14(9-11-15)18-16(27-3)6-5-7-17(18)28-4/h5-11,19H,12-13H2,1-4H3,(H,23,24)
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