null
  CDK     0224162329
null
 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.2749   -7.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0286   -7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9424   -6.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1354   -6.6244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -7.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2002   -5.8707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539   -6.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5535   -5.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -4.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753   -3.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -4.9455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13  9  1  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 20  1  0  0  0  0 
 23 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 26 28  2  0  0  0  0 
 26 29  1  0  0  0  0 
M  END
> <ID>
CHEBI:105764

> <NAME>
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

> <STAR>
2

> <FORMULA>
C18H23N3O5S3

> <MASS>
457.591

> <MONOISOTOPIC_MASS>
457.07998

> <CHARGE>
0

> <SMILES>
C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

> <INCHI>
InChI=1S/C18H23N3O5S3/c19-28(23,24)16-6-3-14(4-7-16)9-10-20-17(22)13-15-5-8-18(27-15)29(25,26)21-11-1-2-12-21/h3-8H,1-2,9-13H2,(H,20,22)(H2,19,23,24)

> <INCHIKEY>
YJJPYTKHCZZEEE-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-17126

$$$$