N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,2-dimethylpropanamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,2-dimethyl-propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C=C1

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C=C1

InChI

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