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

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ChEBI Name 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 ID CHEBI:126434 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H27N3O3S Net Charge 0 Average Mass 473.589 Monoisotopic Mass 473.17731 InChI InChI=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 InChIKey OCTPJBYCZHYWPY-XSBVVTFOSA-N SMILES CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)N([C@@H]3CO)C ChEBI Ontology Outgoing 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) Manual Xref Database LSM-37998 LINCS View more database links