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

Systemtic Name: 2-ethoxy-5-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 2-ethoxy-5-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 2-ethoxy-5-methyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 2-ethoxy-5-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 2-ethoxy-5-methyl-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-21(24)23-11-10-16-7-8-18(13-17(16)14-23)22-28(25,26)20-12-15(3)6-9-19(20)27-5-2/h6-9,12-13,22H,4-5,10-11,14H2,1-3H3