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NV8

Summary
Name:2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
Formula:C21 H23 N3 O3 S
Formal charge:0
Formula weight:397.491 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2
InChIKeyInChI1.03KIKWLYIDCILHAP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5
SMILESCACTVS3.385O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4

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PDB entries from 2024-07-17

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