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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N-butyl-benzenesulfonamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-butyl-benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N-butylbenzenesulfonamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-butylbenzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N-butyl-benzenesulfonamide Formula: C29H29BrN2O4S MolecularWeight: 581.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC3=C(C=C(C=C3)Br)C(=C2C(=O)CC)C4=CC=CC=C4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC3=C(C=C(C=C3)Br)C(=C2C(=O)CC)C4=CC=CC=C4

InChI

InChI=1S/C29H29BrN2O4S/c1-3-5-17-31-37(35,36)24-15-12-21(13-16-24)29(34)32-19-22-11-14-23(30)18-25(22)27(28(32)26(33)4-2)20-9-7-6-8-10-20/h6-16,18,31H,3-5,17,19H2,1-2H3