N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzenesulfonamide Openeye Name: N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]-2-methoxy-benzenesulfonamide CAS Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzenesulfonamide IUPAC Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzenesulfonamide Traditional Name: N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]-2-methoxy-benzenesulfonamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NC(CCSC)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CCSC)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O4S2/c1-27-19-9-5-6-10-20(19)29(25,26)22-18(12-14-28-2)21(24)23-13-11-16-7-3-4-8-17(16)15-23/h3-10,18,22H,11-15H2,1-2H3