2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H25N3O6S2/c1-24(2)33(27,28)16-5-6-18-17(11-16)23-22(31-18)32-13-21(26)25-8-7-14-9-19(29-3)20(30-4)10-15(14)12-25/h5-6,9-11H,7-8,12-13H2,1-4H3