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CHEBI:131025 - 3-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:131025
ChEBI Name3-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC27H27N3O3S
Net Charge0
Average Mass473.598
Monoisotopic Mass473.17731
SMILESCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(C#N)c4)cc3[C@@H]21
InChIInChI=1S/C27H27N3O3S/c1-18-6-3-4-9-26(18)34(32,33)30-13-12-22-25(17-31)29(2)24-11-10-21(15-23(24)27(22)30)20-8-5-7-19(14-20)16-28/h3-11,14-15,22,25,27,31H,12-13,17H2,1-2H3/t22-,25-,27-/m1/s1
InChIKeyNGROXWJPGSKSFY-AVPJRLCVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:131025) is a quinolines (CHEBI:26513)
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