N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-4-methyl-benzenesulfonamide Openeye Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-4-methyl-benzenesulfonamide CAS Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-4-methylbenzenesulfonamide IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-4-methylbenzenesulfonamide Traditional Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-4-methyl-benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)N2CCC3=CC=CC=C3C2

InChI

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