
 CHEMBL1084807

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.5234   -1.1299   -2.8323 C   0  0  0  0  0
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    6.9815   -1.6867   -0.4721 C   0  0  0  0  0
    6.7675   -3.2115   -0.4641 C   0  0  0  0  0
    7.3712   -3.8338    0.8079 C   0  0  0  0  0
    6.5383   -3.5419    2.0582 C   0  0  0  0  0
    5.1526   -3.9648    1.8840 N   0  0  0  0  0
    4.5185   -3.3176    0.7339 C   0  0  0  0  0
    5.2841   -3.6053   -0.5571 C   0  0  0  0  0
    5.6056    0.3544   -1.6435 S   0  0  0  0  0
    5.2149    0.7338   -2.9794 O   0  0  0  0  0
    4.5838    0.1381   -0.6361 O   0  0  0  0  0
    6.7654    1.5451   -0.9642 C   0  0  0  0  0
    6.8407    1.5596    0.4501 C   0  0  0  0  0
    7.7594    2.3637    1.1190 C   0  0  0  0  0
    8.5990    3.1841    0.3911 C   0  0  0  0  0
    8.4948    3.2216   -1.0014 C   0  0  0  0  0
    7.5721    2.4174   -1.7213 C   0  0  0  0  0
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    6.4122    3.1246   -3.8371 C   0  0  0  0  0
    6.4349    3.4001   -5.2068 C   0  0  0  0  0
    7.6023    3.2298   -5.9441 C   0  0  0  0  0
    8.7513    2.7623   -5.3126 C   0  0  0  0  0
    8.7188    2.4504   -3.9492 C   0  0  0  0  0
    5.0138    3.9795   -5.9856 Cl  0  0  0  0  0
    8.4175   -0.5583   -2.5675 H   0  0  0  0  0
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    8.3975   -3.4780    0.9577 H   0  0  0  0  0
    7.4367   -4.9219    0.6724 H   0  0  0  0  0
    6.9683   -4.0861    2.9058 H   0  0  0  0  0
    6.5817   -2.4776    2.3160 H   0  0  0  0  0
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    4.4304   -2.2400    0.9084 H   0  0  0  0  0
    5.2212   -4.6814   -0.7707 H   0  0  0  0  0
    4.7954   -3.0991   -1.3973 H   0  0  0  0  0
    6.1798    0.9331    1.0464 H   0  0  0  0  0
    7.8111    2.3463    2.2054 H   0  0  0  0  0
    9.3221    3.8190    0.8984 H   0  0  0  0  0
    9.1416    3.9144   -1.5386 H   0  0  0  0  0
    5.4945    3.2991   -3.2799 H   0  0  0  0  0
    7.6230    3.4678   -7.0042 H   0  0  0  0  0
    9.6733    2.6502   -5.8772 H   0  0  0  0  0
    9.6371    2.1035   -3.4760 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1084807

>  <PubChem CID>
46890965

>  <Formula>
C19H23ClN2O2S

>  <Molecular Weight>
378.915000

>  <IUPAC Name>
2-(3-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1CCNCC1)S(=O)(=O)C2=CC=CC=C2C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CN(CC1CCNCC1)S(=O)(=O)C2=CC=CC=C2C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H23ClN2O2S/c1-22(14-15-9-11-21-12-10-15)25(23,24)19-8-3-2-7-18(19)16-5-4-6-17(20)13-16/h2-8,13,15,21H,9-12,14H2,1H3

>  <InChI Key>
ALYOWQBRPGWMST-UHFFFAOYSA-N

