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CHEBI:46350 - 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE

Default Structure
ChEBI IDCHEBI:46350
ChEBI Name4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE
Stars
DownloadsMolfile
FormulaC28H28N2O5S
Net Charge0
Average Mass504.608
Monoisotopic Mass504.17189
SMILES[H]Oc1c2c(oc(=O)c1[C@]([H])(c1c([H])c([H])c([H])c(N([H])S(=O)(=O)c3c([H])c([H])c(C#N)c([H])c3[H])c1[H])C1([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]
InChIInChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1
InChIKeyVCYQENLVFRTJIC-VWLOTQADSA-N
ChEBI Ontology
Outgoing Relation(s)
4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE (CHEBI:46350) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDEPDBeChem
4-cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamidePDBeChem
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