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

Systemtic Name: N-tert-butyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-tert-butyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: N-tert-butyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide IUPAC Name: N-tert-butyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: N-tert-butyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)23-28(26,27)20-11-8-17(9-12-20)10-13-21(25)24-15-14-18-6-4-5-7-19(18)16-24/h4-9,11-12,23H,10,13-16H2,1-3H3