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A1H92

Summary
Name:3-(Cyclooctylamino)-5-ethoxy-2,6-difluoro-4-((3-hydroxypropyl)sulfonyl)benzenesulfonamide
Formula:C19 H30 F2 N2 O6 S2
Formal charge:0
Formula weight:484.578 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(cyclooctylamino)-5-ethoxy-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H30F2N2O6S2/c1-2-29-17-15(21)18(31(22,27)28)14(20)16(19(17)30(25,26)12-8-11-24)23-13-9-6-4-3-5-7-10-13/h13,23-24H,2-12H2,1H3,(H2,22,27,28)
InChIKeyInChI1.06HVTLSUDQRPQLKK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1c(F)c(c(F)c(NC2CCCCCCC2)c1[S](=O)(=O)CCCO)[S](N)(=O)=O
SMILESCACTVS3.385CCOc1c(F)c(c(F)c(NC2CCCCCCC2)c1[S](=O)(=O)CCCO)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1c(c(c(c(c1S(=O)(=O)CCCO)NC2CCCCCCC2)F)S(=O)(=O)N)F
SMILESOpenEye OEToolkits2.0.7CCOc1c(c(c(c(c1S(=O)(=O)CCCO)NC2CCCCCCC2)F)S(=O)(=O)N)F

250835

PDB entries from 2026-03-18

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