2-methyl-2-[4-[[(1-oxidanidylpyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propanoic acid

Systemtic Name: 2-methyl-2-[4-[[(1-oxidanidylpyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propanoic acid Openeye Name: 2-methyl-2-[4-[[(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propanoic acid CAS Name: 2-methyl-2-[4-[[(1-oxido-3-pyridin-1-iumyl)sulfonylamino]methyl]phenyl]propanoic acid IUPAC Name: 2-methyl-2-[4-[[(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 2-methyl-2-[4-[[(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenyl]propionic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CNS(=O)(=O)C2=C[N+](=CC=C2)[O-])C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CNS(=O)(=O)C2=C[N+](=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-16(2,15(19)20)13-7-5-12(6-8-13)10-17-24(22,23)14-4-3-9-18(21)11-14/h3-9,11,17H,10H2,1-2H3,(H,19,20)