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

Systemtic Name: 4-tert-butyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 4-tert-butyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-5-21(25)24-13-12-16-6-9-19(14-17(16)15-24)23-28(26,27)20-10-7-18(8-11-20)22(2,3)4/h6-11,14,23H,5,12-13,15H2,1-4H3