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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-N-(3,4-dimethylphenyl)methanesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-N-(3,4-dimethylphenyl)methanesulfonamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-N-(3,4-dimethylphenyl)methanesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-N-(3,4-dimethylphenyl)methanesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-N-(3,4-dimethylphenyl)methanesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-17-10-11-21(15-18(17)2)24(28(3,26)27)13-6-9-22(25)23-14-12-19-7-4-5-8-20(19)16-23/h4-5,7-8,10-11,15H,6,9,12-14,16H2,1-3H3