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

Systemtic Name: 4-tert-butyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[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)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC3=CC=CC=C3C2

InChI

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