2-[pyridin-3-ylcarbonyl(2-pyridin-3-ylcarbonyloxyethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[pyridin-3-ylcarbonyl(2-pyridin-3-ylcarbonyloxyethyl)amino]ethanesulfonic acid Openeye Name: 2-[pyridine-3-carbonyl-[2-(pyridine-3-carbonyloxy)ethyl]amino]ethanesulfonic acid CAS Name: 2-[2-[oxo(3-pyridinyl)methoxy]ethyl-[oxo(3-pyridinyl)methyl]amino]ethanesulfonic acid IUPAC Name: 2-[pyridine-3-carbonyl-[2-(pyridine-3-carbonyloxy)ethyl]amino]ethanesulfonic acid Traditional Name: 2-[nicotinoyl(2-nicotinoyloxyethyl)amino]ethanesulfonic acid Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)N(CCOC(=O)C2=CN=CC=C2)CCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N(CCOC(=O)C2=CN=CC=C2)CCS(=O)(=O)O

InChI

InChI=1S/C16H17N3O6S/c20-15(13-3-1-5-17-11-13)19(8-10-26(22,23)24)7-9-25-16(21)14-4-2-6-18-12-14/h1-6,11-12H,7-10H2,(H,22,23,24)