2-(2-methyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)ethanesulfonic acid hydrochloride

Systemtic Name: 2-(2-methyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)ethanesulfonic acid hydrochloride Openeye Name: 2-(3-benzyloxy-2-methyl-4-oxo-1-pyridyl)ethanesulfonic acid hydrochloride CAS Name: 2-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethanesulfonic acid hydrochloride IUPAC Name: 2-(2-methyl-4-oxo-3-phenylmethoxypyridin-1-yl)ethanesulfonic acid hydrochloride Traditional Name: 2-(3-benzoxy-4-keto-2-methyl-1-pyridyl)ethanesulfonic acid hydrochloride Formula: C15H18ClNO5S MolecularWeight: 359.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CCS(=O)(=O)O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CC1=C(C(=O)C=CN1CCS(=O)(=O)O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C15H17NO5S.ClH/c1-12-15(21-11-13-5-3-2-4-6-13)14(17)7-8-16(12)9-10-22(18,19)20;/h2-8H,9-11H2,1H3,(H,18,19,20);1H