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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N-(2-hydroxyethyl)benzenesulfonamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-(2-hydroxyethyl)benzenesulfonamide CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N-(2-hydroxyethyl)benzenesulfonamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N-(2-hydroxyethyl)benzenesulfonamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N-(2-hydroxyethyl)benzenesulfonamide Formula: C27H25BrN2O5S MolecularWeight: 569.4668

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

InChI

InChI=1S/C27H25BrN2O5S/c1-2-24(32)26-25(18-6-4-3-5-7-18)23-16-21(28)11-8-20(23)17-30(26)27(33)19-9-12-22(13-10-19)36(34,35)29-14-15-31/h3-13,16,29,31H,2,14-15,17H2,1H3