4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]amino]-N,N-diethyl-benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-3-24(4-2)28(26,27)20-11-9-19(10-12-20)22-15-21(25)23-14-13-17-7-5-6-8-18(17)16-23/h5-12,22H,3-4,13-16H2,1-2H3