CHEBI:114719 - 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide

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ChEBI Name 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
ChEBI ID CHEBI:114719
Stars This entity has been manually annotated by a third party.
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Formula C28H31N3O3S
Net Charge 0
Average Mass 489.631
Monoisotopic Mass 489.20861
InChI InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)
InChIKey ZWLIOLNWONUVEB-UHFFFAOYSA-N
SMILES C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide (CHEBI:114719) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-26181 LINCS
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