
 SCHEMBL1198537

 54 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1198537

>  <PubChem CID>
57649026

>  <Formula>
C21H23ClFN3O4S

>  <Molecular Weight>
467.940000

>  <IUPAC Name>
1-[3-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-chloro-2-hydroxyphenyl]-3-(3-fluoro-2-methylphenyl)urea

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3CC4CCC(C3)N4)O

>  <Isomeric SMILES>
CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3C[C@H]4CC[C@@H](C3)N4)O

>  <InChI Std. ID>
InChI=1S/C21H23ClFN3O4S/c1-11-16(23)3-2-4-17(11)25-21(28)26-18-8-7-15(22)20(19(18)27)31(29,30)14-9-12-5-6-13(10-14)24-12/h2-4,7-8,12-14,24,27H,5-6,9-10H2,1H3,(H2,25,26,28)/t12-,13+,14?

>  <InChI Key>
FLPRVHAJERWVDF-PBWFPOADSA-N

