
 CHEMBL601457

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL601457

>  <PubChem CID>
46232730

>  <Formula>
C27H33N3O2S

>  <Molecular Weight>
463.640000

>  <IUPAC Name>
N-(cyclopropylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1CN(CCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
C1CC1CN(CCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C27H33N3O2S/c31-33(32,27-13-6-9-24-8-4-5-12-26(24)27)30(22-23-14-15-23)17-7-16-28-18-20-29(21-19-28)25-10-2-1-3-11-25/h1-6,8-13,23H,7,14-22H2

>  <InChI Key>
AHYJMKNQHZIKJN-UHFFFAOYSA-N

