CHEBI:104113 - 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

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ChEBI Name 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
ChEBI ID CHEBI:104113
Stars This entity has been manually annotated by a third party.
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Formula C29H32N4O3S2
Net Charge 0
Average Mass 548.723
Monoisotopic Mass 548.19158
InChI InChI=1S/C29H32N4O3S2/c1-21-8-6-11-26-27(21)30-29(37-26)33(18-7-17-31(2)3)28(34)23-12-14-25(15-13-23)38(35,36)32-19-16-22-9-4-5-10-24(22)20-32/h4-6,8-15H,7,16-20H2,1-3H3
InChIKey ULYMEGNMFCTJHO-UHFFFAOYSA-N
SMILES CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CHEBI:104113) is a isoquinolines (CHEBI:24922)
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