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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N-(2-pyridylmethyl)benzenesulfonamide Formula: C31H26BrN3O4S MolecularWeight: 616.52484

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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)NCC4=CC=CC=N4)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)NCC4=CC=CC=N4)C=CC(=C2)Br)C5=CC=CC=C5

InChI

InChI=1S/C31H26BrN3O4S/c1-2-28(36)30-29(21-8-4-3-5-9-21)27-18-24(32)14-11-23(27)20-35(30)31(37)22-12-15-26(16-13-22)40(38,39)34-19-25-10-6-7-17-33-25/h3-18,34H,2,19-20H2,1H3