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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N-(2-methylsulfonylethyl)benzenesulfonamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-(2-methylsulfonylethyl)benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N-(2-methylsulfonylethyl)benzenesulfonamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-(2-methylsulfonylethyl)benzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N-(2-mesylethyl)benzenesulfonamide Formula: C28H27BrN2O6S2 MolecularWeight: 631.55778

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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)NCCS(=O)(=O)C)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCS(=O)(=O)C)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H27BrN2O6S2/c1-3-25(32)27-26(19-7-5-4-6-8-19)24-17-22(29)12-9-21(24)18-31(27)28(33)20-10-13-23(14-11-20)39(36,37)30-15-16-38(2,34)35/h4-14,17,30H,3,15-16,18H2,1-2H3