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

Systemtic Name: 4-[(3-butanoyl-6-chloranyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide Openeye Name: 4-(3-butanoyl-6-chloro-4-phenyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide CAS Name: 4-[[6-chloro-3-(1-oxobutyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-(3-butanoyl-6-chloro-4-phenyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide Traditional Name: 4-(3-butyryl-6-chloro-4-phenyl-1H-isoquinoline-2-carbonyl)benzenesulfonamide Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)N)C=CC(=C2)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)N)C=CC(=C2)Cl)C4=CC=CC=C4

InChI

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