N-[12-(3,4-dihydro-1H-isoquinolin-2-yl)-12-oxidanylidene-dodecyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[12-(3,4-dihydro-1H-isoquinolin-2-yl)-12-oxidanylidene-dodecyl]-4-methyl-benzenesulfonamide Openeye Name: N-[12-(3,4-dihydro-1H-isoquinolin-2-yl)-12-oxo-dodecyl]-4-methyl-benzenesulfonamide CAS Name: N-[12-(3,4-dihydro-1H-isoquinolin-2-yl)-12-oxododecyl]-4-methylbenzenesulfonamide IUPAC Name: N-[12-(3,4-dihydro-1H-isoquinolin-2-yl)-12-oxododecyl]-4-methylbenzenesulfonamide Traditional Name: N-[12-(3,4-dihydro-1H-isoquinolin-2-yl)-12-keto-dodecyl]-4-methyl-benzenesulfonamide Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O3S/c1-24-16-18-27(19-17-24)34(32,33)29-21-12-8-6-4-2-3-5-7-9-15-28(31)30-22-20-25-13-10-11-14-26(25)23-30/h10-11,13-14,16-19,29H,2-9,12,15,20-23H2,1H3