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

Systemtic Name: N-tert-butyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide Openeye Name: N-tert-butyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide IUPAC Name: N-tert-butyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: N-tert-butyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O4S/c1-21(2,3)22-28(25,26)19-10-8-18(9-11-19)27-15-20(24)23-13-12-16-6-4-5-7-17(16)14-23/h4-11,22H,12-15H2,1-3H3