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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-4-propoxy-benzenesulfonamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-4-propoxy-benzenesulfonamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-4-propoxybenzenesulfonamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-4-propoxybenzenesulfonamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-4-propoxy-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2)C

InChI

InChI=1S/C21H26N2O4S/c1-4-11-27-21-8-7-20(12-15(21)2)28(25,26)22-19-6-5-17-9-10-23(16(3)24)14-18(17)13-19/h5-8,12-13,22H,4,9-11,14H2,1-3H3