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

Systemtic Name: 4-ethoxy-3-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 4-ethoxy-3-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 4-ethoxy-3-methyl-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-methyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 4-ethoxy-3-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=CC(=C(C=C3)OCC)C

Isomeric SMILES

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

InChI

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