2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N,N-diethyl-1-(2-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C29H32N4O4S2 MolecularWeight: 564.71878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5OC

InChI

InChI=1S/C29H32N4O4S2/c1-4-32(5-2)39(35,36)23-14-15-25-24(18-23)30-29(33(25)26-12-8-9-13-27(26)37-3)38-20-28(34)31-17-16-21-10-6-7-11-22(21)19-31/h6-15,18H,4-5,16-17,19-20H2,1-3H3