
 CHEMBL343578

 57 59  0  0  0  0  0  0  0  0999 V2000
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    1.8222   -5.1726   -2.2844 Cl  0  0  0  0  0
    6.2492    1.3636    0.0171 C   0  0  0  0  0
    0.7232    2.6421    0.5539 H   0  0  0  0  0
    2.0640    3.7767    0.5637 H   0  0  0  0  0
    1.4390    3.1866    2.1054 H   0  0  0  0  0
    4.1792    2.9939    0.2551 H   0  0  0  0  0
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    1.2099   -0.1401    3.2259 H   0  0  0  0  0
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    0.3085   -0.1135   -0.4123 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL343578

>  <PubChem CID>
10117626

>  <Formula>
C21H25ClN4O4S2

>  <Molecular Weight>
497.025000

>  <IUPAC Name>
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[3-[(dimethylamino)methyl]-2,4,6-trimethylphenyl]thiophene-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=C(C(=C1CN(C)C)C)NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Cl)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1CN(C)C)C)NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Cl)C

>  <InChI Std. ID>
InChI=1S/C21H25ClN4O4S2/c1-11-9-12(2)18(13(3)15(11)10-26(5)6)23-20(27)19-16(7-8-31-19)32(28,29)25-21-17(22)14(4)24-30-21/h7-9,25H,10H2,1-6H3,(H,23,27)

>  <InChI Key>
BGJGHZXKTIGRTO-UHFFFAOYSA-N

