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

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: N-benzyl-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]benzenesulfonamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c28-25(27-17-16-22-8-4-5-9-23(22)19-27)15-12-20-10-13-24(14-11-20)31(29,30)26-18-21-6-2-1-3-7-21/h1-11,13-14,26H,12,15-19H2