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

Systemtic Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-N,N,4-trimethyl-benzenesulfonamide Openeye Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]amino]-N,N,4-trimethyl-benzenesulfonamide CAS Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N,N,4-trimethylbenzenesulfonamide IUPAC Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-N,N,4-trimethylbenzenesulfonamide Traditional Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]amino]-N,N,4-trimethyl-benzenesulfonamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-15-8-9-18(27(25,26)22(2)3)12-19(15)21-13-20(24)23-11-10-16-6-4-5-7-17(16)14-23/h4-9,12,21H,10-11,13-14H2,1-3H3