N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]-N-(2,5-dimethylphenyl)methanesulfonamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-(2,5-dimethylphenyl)methanesulfonamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]-N-(2,5-dimethylphenyl)methanesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N([C@@H](C)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-15-9-10-16(2)20(13-15)23(27(4,25)26)17(3)21(24)22-12-11-18-7-5-6-8-19(18)14-22/h5-10,13,17H,11-12,14H2,1-4H3/t17-/m0/s1