
 SCHEMBL1199471

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M  END

>  <Chemical Name>
SCHEMBL1199471

>  <PubChem CID>
57649042

>  <Formula>
C17H16Cl2FN3O4S

>  <Molecular Weight>
448.290000

>  <IUPAC Name>
1-(2-chloro-3-fluorophenyl)-3-[4-chloro-2-hydroxy-3-[(3S)-pyrrolidin-3-yl]sulfonylphenyl]urea

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C17H16Cl2FN3O4S/c18-10-4-5-13(15(24)16(10)28(26,27)9-6-7-21-8-9)23-17(25)22-12-3-1-2-11(20)14(12)19/h1-5,9,21,24H,6-8H2,(H2,22,23,25)/t9-/m0/s1

>  <InChI Key>
CRHQLGHPEWNKIT-VIFPVBQESA-N

