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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide Formula: C25H21BrN2O4S MolecularWeight: 525.41424

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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)N)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)N)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O4S/c1-2-22(29)24-23(16-6-4-3-5-7-16)21-14-19(26)11-8-18(21)15-28(24)25(30)17-9-12-20(13-10-17)33(27,31)32/h3-14H,2,15H2,1H3,(H2,27,31,32)