4-ethoxy-3,5-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide

Systemtic Name: 4-ethoxy-3,5-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 4-ethoxy-3,5-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 4-ethoxy-3,5-dimethyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-3,5-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 4-ethoxy-3,5-dimethyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-5-21(25)24-10-9-17-7-8-19(13-18(17)14-24)23-29(26,27)20-11-15(3)22(28-6-2)16(4)12-20/h7-8,11-13,23H,5-6,9-10,14H2,1-4H3