tert-butyl 1-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-imidazo[4,5-c]pyridine-3-carboxylate

Systemtic Name: tert-butyl 1-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-imidazo[4,5-c]pyridine-3-carboxylate Openeye Name: tert-butyl 1-[(4-methylsulfonylphenyl)methyl]-2-oxo-imidazo[4,5-c]pyridine-3-carboxylate CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-2-oxo-3-imidazo[4,5-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-methylsulfonylphenyl)methyl]-2-oxoimidazo[4,5-c]pyridine-3-carboxylate Traditional Name: 2-keto-1-(4-mesylbenzyl)imidazo[4,5-c]pyridine-3-carboxylic acid tert-butyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CN=C2)N(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CN=C2)N(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O5S/c1-19(2,3)27-18(24)22-16-11-20-10-9-15(16)21(17(22)23)12-13-5-7-14(8-6-13)28(4,25)26/h5-11H,12H2,1-4H3