2,5-bis(chloranyl)-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: 2,5-bis(chloranyl)-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 2,5-dichloro-N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]benzenesulfonamide CAS Name: 2,5-dichloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 2,5-dichloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 2,5-dichloro-N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]benzenesulfonamide Formula: C20H22Cl2N2O3S2 MolecularWeight: 473.43628

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O3S2/c1-28-11-9-18(23-29(26,27)19-12-16(21)6-7-17(19)22)20(25)24-10-8-14-4-2-3-5-15(14)13-24/h2-7,12,18,23H,8-11,13H2,1H3