3-chloranyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 3-chloranyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-N-isobutyl-benzenesulfonamide CAS Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-N-isobutyl-benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-15(2)12-23-29(26,27)18-7-8-20(19(22)11-18)28-14-21(25)24-10-9-16-5-3-4-6-17(16)13-24/h3-8,11,15,23H,9-10,12-14H2,1-2H3