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

Systemtic Name: 4-[(6-bromanyl-3-pentanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide Openeye Name: 4-(6-bromo-3-pentanoyl-4-phenyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopentyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-(6-bromo-3-pentanoyl-4-phenyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-valeryl-1H-isoquinoline-2-carbonyl)benzenesulfonamide Formula: C27H25BrN2O4S MolecularWeight: 553.4674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=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

CCCCC(=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/C27H25BrN2O4S/c1-2-3-9-24(31)26-25(18-7-5-4-6-8-18)23-16-21(28)13-10-20(23)17-30(26)27(32)19-11-14-22(15-12-19)35(29,33)34/h4-8,10-16H,2-3,9,17H2,1H3,(H2,29,33,34)