5-bromanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide Openeye Name: 5-bromo-3-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide CAS Name: 5-bromo-3-[[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-morpholinyl]sulfonyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-3-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide Traditional Name: 5-bromo-3-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholino]sulfonyl-1H-indole-2-carboxamide Formula: C23H23BrN4O5S MolecularWeight: 547.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3CN(CCO3)S(=O)(=O)C4=C(NC5=C4C=C(C=C5)Br)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3CN(CCO3)S(=O)(=O)C4=C(NC5=C4C=C(C=C5)Br)C(=O)N

InChI

InChI=1S/C23H23BrN4O5S/c24-16-5-6-18-17(11-16)21(20(26-18)22(25)29)34(31,32)28-9-10-33-19(13-28)23(30)27-8-7-14-3-1-2-4-15(14)12-27/h1-6,11,19,26H,7-10,12-13H2,(H2,25,29)