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

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzenesulfonamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzenesulfonamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propylbenzenesulfonamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propyl-benzenesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)CC)C=C2

InChI

InChI=1S/C21H26N2O3S/c1-3-5-16-6-10-20(11-7-16)27(25,26)22-19-9-8-17-12-13-23(21(24)4-2)15-18(17)14-19/h6-11,14,22H,3-5,12-13,15H2,1-2H3