3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-4-methyl-benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-methyl-benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N,N-diethyl-4-methylbenzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-methylbenzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-methyl-benzenesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O3S/c1-4-23(5-2)27(25,26)19-11-10-16(3)20(14-19)21(24)22-13-12-17-8-6-7-9-18(17)15-22/h6-11,14H,4-5,12-13,15H2,1-3H3