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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N,N-dimethyl-benzenesulfonamide Formula: C27H25BrN2O4S MolecularWeight: 553.4674

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

InChI

InChI=1S/C27H25BrN2O4S/c1-4-24(31)26-25(18-8-6-5-7-9-18)23-16-21(28)13-10-20(23)17-30(26)27(32)19-11-14-22(15-12-19)35(33,34)29(2)3/h5-16H,4,17H2,1-3H3