N-[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylfuran-2-carboxamide

Systemtic Name: N-[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylfuran-2-carboxamide Openeye Name: N-[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylfuran-2-carboxamide CAS Name: N-[4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]phenyl]sulfonyl-2-furancarboxamide IUPAC Name: N-[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylfuran-2-carboxamide Traditional Name: N-[4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonyl-2-furamide Formula: C30H23BrN2O6S MolecularWeight: 619.48242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CO4)C=CC(=C2)Br)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CO4)C=CC(=C2)Br)C5=CC=CC=C5

InChI

InChI=1S/C30H23BrN2O6S/c1-2-25(34)28-27(19-7-4-3-5-8-19)24-17-22(31)13-10-21(24)18-33(28)30(36)20-11-14-23(15-12-20)40(37,38)32-29(35)26-9-6-16-39-26/h3-17H,2,18H2,1H3,(H,32,35)