4-[(3-butanoyl-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(3-butanoyl-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)methyl]benzenesulfonamide Openeye Name: 4-[(3-butanoyl-6-chloro-1-oxo-4-phenyl-2-isoquinolyl)methyl]benzenesulfonamide CAS Name: 4-[[6-chloro-1-oxo-3-(1-oxobutyl)-4-phenyl-2-isoquinolinyl]methyl]benzenesulfonamide IUPAC Name: 4-[(3-butanoyl-6-chloro-1-oxo-4-phenylisoquinolin-2-yl)methyl]benzenesulfonamide Traditional Name: 4-[(3-butyryl-6-chloro-1-keto-4-phenyl-2-isoquinolyl)methyl]benzenesulfonamide Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C26H23ClN2O4S/c1-2-6-23(30)25-24(18-7-4-3-5-8-18)22-15-19(27)11-14-21(22)26(31)29(25)16-17-9-12-20(13-10-17)34(28,32)33/h3-5,7-15H,2,6,16H2,1H3,(H2,28,32,33)