1-(2,5-dimethylphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide

Systemtic Name: 1-(2,5-dimethylphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Openeye Name: 1-(2,5-dimethylphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide CAS Name: 1-(2,5-dimethylphenyl)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide IUPAC Name: 1-(2,5-dimethylphenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Traditional Name: 1-(2,5-dimethylphenyl)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O3S/c1-4-21(24)23-10-9-17-7-8-20(12-18(17)13-23)22-27(25,26)14-19-11-15(2)5-6-16(19)3/h5-8,11-12,22H,4,9-10,13-14H2,1-3H3