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1-(4-fluorophenyl)sulfonyl-2-[[4-isothiocyanato-3-(trifluoromethyl)phenyl]amino]propan-2-ol
1-(4-fluorophenyl)sulfonyl-2-[[4-isothiocyanato-3-(trifluoromethyl)phenyl]amino]propan-2-ol
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Descriptors Computed from Structure
Canonical SMILES:
CC(CS(=O)(=O)C1=CC=C(C=C1)F)(NC2=CC(=C(C=C2)N=C=S)C(F)(F)F)O
Isomeric SMILES
CC(CS(=O)(=O)C1=CC=C(C=C1)F)(NC2=CC(=C(C=C2)N=C=S)C(F)(F)F)O
InChI
InChI=1S/C17H14F4N2O3S2/c1-16(24,9-28(25,26)13-5-2-11(18)3-6-13)23-12-4-7-15(22-10-27)14(8-12)17(19,20)21/h2-8,23-24H,9H2,1H3
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