4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C25H26N2O4S/c1-18-13-19(2)15-22(14-18)26-32(29,30)24-9-7-23(8-10-24)31-17-25(28)27-12-11-20-5-3-4-6-21(20)16-27/h3-10,13-15,26H,11-12,16-17H2,1-2H3