3-chloranyl-4-fluoranyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C18H18ClFN2O3S MolecularWeight: 396.863523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN2O3S/c1-2-18(23)22-8-7-12-3-4-14(9-13(12)11-22)21-26(24,25)15-5-6-17(20)16(19)10-15/h3-6,9-10,21H,2,7-8,11H2,1H3