2-[tert-butyl(dimethyl)silyl]-4-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]imidazole-1-sulfonic acid

Systemtic Name: 2-[tert-butyl(dimethyl)silyl]-4-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]imidazole-1-sulfonic acid Openeye Name: 2-[tert-butyl(dimethyl)silyl]-4-[(1-oxo-2H-isoquinolin-4-yl)methyl]imidazole-1-sulfonic acid CAS Name: 2-[tert-butyl(dimethyl)silyl]-4-[(1-oxo-2H-isoquinolin-4-yl)methyl]-1-imidazolesulfonic acid IUPAC Name: 2-[tert-butyl(dimethyl)silyl]-4-[(1-oxo-2H-isoquinolin-4-yl)methyl]imidazole-1-sulfonic acid Traditional Name: 2-[tert-butyl(dimethyl)silyl]-4-[(1-keto-2H-isoquinolin-4-yl)methyl]imidazole-1-sulfonic acid Formula: C19H25N3O4SSi MolecularWeight: 419.57

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)C1=NC(=CN1S(=O)(=O)O)CC2=CNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)[Si](C)(C)C1=NC(=CN1S(=O)(=O)O)CC2=CNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H25N3O4SSi/c1-19(2,3)28(4,5)18-21-14(12-22(18)27(24,25)26)10-13-11-20-17(23)16-9-7-6-8-15(13)16/h6-9,11-12H,10H2,1-5H3,(H,20,23)(H,24,25,26)