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CHEBI:126434 - 4-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:126434
ChEBI Name4-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(4-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
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1
InChIInChI=1S/C27H27N3O3S/c1-18-3-10-22(11-4-18)34(32,33)30-14-13-23-26(17-31)29(2)25-12-9-21(15-24(25)27(23)30)20-7-5-19(16-28)6-8-20/h3-12,15,23,26-27,31H,13-14,17H2,1-2H3/t23-,26-,27-/m1/s1
InChIKeyOCTPJBYCZHYWPY-XSBVVTFOSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:126434) is a quinolines (CHEBI:26513)
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