
 SCHEMBL1198501

 47 50  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1198501

>  <PubChem CID>
57649043

>  <Formula>
C18H16ClF2N3O6S

>  <Molecular Weight>
475.848000

>  <IUPAC Name>
1-[4-chloro-2-hydroxy-3-[(3R)-pyrrolidin-3-yl]sulfonylphenyl]-3-(2,2-difluoro-1,3-benzodioxol-4-yl)urea

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CNCC1S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C4C(=CC=C3)OC(O4)(F)F)Cl

>  <Isomeric SMILES>
C1CNC[C@@H]1S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C4C(=CC=C3)OC(O4)(F)F)Cl

>  <InChI Std. ID>
InChI=1S/C18H16ClF2N3O6S/c19-10-4-5-11(14(25)16(10)31(27,28)9-6-7-22-8-9)23-17(26)24-12-2-1-3-13-15(12)30-18(20,21)29-13/h1-5,9,22,25H,6-8H2,(H2,23,24,26)/t9-/m1/s1

>  <InChI Key>
APBXDCDLFXRMCV-SECBINFHSA-N

