4-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-allyl-4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-allyl-4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H20ClF3N2O3S MolecularWeight: 472.90831

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C=CCN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H20ClF3N2O3S/c1-2-10-27(14-20(28)26-11-9-15-5-3-4-6-16(15)13-26)31(29,30)17-7-8-19(22)18(12-17)21(23,24)25/h2-8,12H,1,9-11,13-14H2