
 CHEMBL1518991

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    2.3424   -2.3384    0.3578 S   0  0  0  0  0
    3.0333   -2.9303    1.4830 O   0  0  0  0  0
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    5.9942    5.5487   -1.4164 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1518991

>  <PubChem CID>
16018535

>  <Formula>
C18H16ClF3N2O4S

>  <Molecular Weight>
448.841000

>  <IUPAC Name>
4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC2=C(C=C1S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OCCN2C(=O)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OCCN2C(=O)C

>  <InChI Std. ID>
InChI=1S/C18H16ClF3N2O4S/c1-10-7-15-16(28-6-5-24(15)11(2)25)9-17(10)29(26,27)23-14-8-12(18(20,21)22)3-4-13(14)19/h3-4,7-9,23H,5-6H2,1-2H3

>  <InChI Key>
AINBDVBUWIJUPR-UHFFFAOYSA-N

