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

Systemtic Name: 5-ethyl-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 5-ethyl-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 5-ethyl-2-methoxy-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 5-ethyl-2-methoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 5-ethyl-2-methoxy-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:

CCC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2

InChI

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