methanesulfonic acid; 2-pyridin-4-yl-1H-benzimidazole-4-carboxamide

Systemtic Name: methanesulfonic acid; 2-pyridin-4-yl-1H-benzimidazole-4-carboxamide Openeye Name: methanesulfonic acid; 2-(4-pyridyl)-1H-benzimidazole-4-carboxamide CAS Name: methanesulfonic acid; 2-pyridin-4-yl-1H-benzimidazole-4-carboxamide IUPAC Name: methanesulfonic acid; 2-pyridin-4-yl-1H-benzimidazole-4-carboxamide Traditional Name: mesylic acid; 2-(4-pyridyl)-1H-benzimidazole-4-carboxamide Formula: C14H14N4O4S MolecularWeight: 334.35036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C13H10N4O.CH4O3S/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8;1-5(2,3)4/h1-7H,(H2,14,18)(H,16,17);1H3,(H,2,3,4)