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

Systemtic Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H25N5O6S/c1-24(2)33(28,29)16-5-6-17-18(11-16)26(23-22-17)32-13-21(27)25-8-7-14-9-19(30-3)20(31-4)10-15(14)12-25/h5-6,9-11H,7-8,12-13H2,1-4H3