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

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N-phenethyl-benzenesulfonamide Openeye Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-N-phenethyl-benzenesulfonamide CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-phenethylbenzenesulfonamide IUPAC Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-phenethylbenzenesulfonamide Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-N-phenethyl-benzenesulfonamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c29-26(28-19-17-23-8-4-5-9-24(23)20-28)15-12-22-10-13-25(14-11-22)32(30,31)27-18-16-21-6-2-1-3-7-21/h1-11,13-14,27H,12,15-20H2