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CHEBI:129948 - [(3aS,4S,9bS)-8-[2-(3-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:129948
ChEBI Name[(3aS,4S,9bS)-8-[2-(3-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC28H28N2O5S
Net Charge0
Average Mass504.608
Monoisotopic Mass504.17189
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4cccc(OC)c4)ccc2N[C@@H]3CO)cc1
InChIInChI=1S/C28H28N2O5S/c1-34-21-9-11-23(12-10-21)36(32,33)30-15-14-24-27(18-31)29-26-13-8-20(17-25(26)28(24)30)7-6-19-4-3-5-22(16-19)35-2/h3-5,8-13,16-17,24,27-29,31H,14-15,18H2,1-2H3/t24-,27+,28-/m0/s1
InChIKeyGZIOURVMJXJAEG-VCTRFXNDSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-8-[2-(3-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:129948) is a pyrroloquinoline (CHEBI:50918)
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