
 N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-N~2~-(2,3-dimethylphenyl)-N~2~-(methylsulfonyl)glycinamide

 50 51  0  0  0  0  0  0  0  0999 V2000
    3.4166    1.8777    2.0864 C   0  0  0  0  0
    3.1142    0.7306    1.1581 C   0  0  0  0  0
    3.9977   -0.3675    1.0260 C   0  0  0  0  0
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    1.5723   -0.3067   -0.4111 C   0  0  0  0  0
    1.9097    0.7453    0.4361 C   0  0  0  0  0
    4.5023   -2.5418   -0.0499 N   0  0  0  0  0
    5.6312   -2.4361   -0.9894 C   0  0  0  0  0
    5.3054   -3.1369   -2.2960 C   0  0  0  0  0
    5.7159   -4.2614   -2.5686 O   0  0  0  0  0
    4.4709   -2.4270   -3.1353 N   0  0  0  0  0
    4.0385   -2.9583   -4.4171 C   0  0  0  0  0
    2.9388   -4.0118   -4.2707 C   0  0  0  0  0
    2.3650   -4.5496   -5.9168 S   0  0  0  0  0
    1.1209   -5.7174   -5.4093 C   0  0  0  0  0
   -0.2115   -5.3103   -5.2892 C   0  0  0  0  0
   -1.1950   -6.2257   -4.9050 C   0  0  0  0  0
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    0.4788   -7.9664   -4.7723 C   0  0  0  0  0
    1.4621   -7.0496   -5.1552 C   0  0  0  0  0
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    5.2886   -0.3841    1.8054 C   0  0  0  0  0
    3.4219    1.5322    3.1251 H   0  0  0  0  0
    2.6642    2.6697    2.0055 H   0  0  0  0  0
    4.3858    2.3242    1.8427 H   0  0  0  0  0
    2.1568   -2.2082   -1.2016 H   0  0  0  0  0
    0.6305   -0.2858   -0.9534 H   0  0  0  0  0
    1.2172    1.5786    0.5418 H   0  0  0  0  0
    6.5461   -2.8669   -0.5712 H   0  0  0  0  0
    5.8692   -1.3866   -1.2003 H   0  0  0  0  0
    4.1155   -1.5273   -2.8313 H   0  0  0  0  0
    4.9142   -3.3837   -4.9214 H   0  0  0  0  0
    3.6855   -2.1020   -5.0022 H   0  0  0  0  0
    2.0926   -3.5923   -3.7150 H   0  0  0  0  0
    3.3064   -4.8786   -3.7120 H   0  0  0  0  0
   -0.4960   -4.2821   -5.5004 H   0  0  0  0  0
   -2.2284   -5.9015   -4.8157 H   0  0  0  0  0
    0.7514   -9.0009   -4.5800 H   0  0  0  0  0
    2.4913   -7.3865   -5.2602 H   0  0  0  0  0
    2.5237   -4.5998   -0.3803 H   0  0  0  0  0
    3.2967   -5.9414    0.5031 H   0  0  0  0  0
    4.0814   -5.2935   -0.9529 H   0  0  0  0  0
    5.0951   -0.2123    2.8693 H   0  0  0  0  0
    5.9602    0.3943    1.4288 H   0  0  0  0  0
    5.8197   -1.3367    1.7384 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
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M  END

>  <Chemical Name>
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-N~2~-(2,3-dimethylphenyl)-N~2~-(methylsulfonyl)glycinamide

>  <PubChem CID>
2290112

>  <Formula>
C19H23ClN2O3S2

>  <Molecular Weight>
426.974000

>  <IUPAC Name>
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)N(CC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C)C

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)N(CC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C)C

>  <InChI Std. ID>
InChI=1S/C19H23ClN2O3S2/c1-14-5-4-6-18(15(14)2)22(27(3,24)25)13-19(23)21-11-12-26-17-9-7-16(20)8-10-17/h4-10H,11-13H2,1-3H3,(H,21,23)

>  <InChI Key>
AAGVDDQADUWQFP-UHFFFAOYSA-N

