N-[[4-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]methyl]-1-oxidanidyl-pyridin-1-ium-3-sulfonamide; sulfuric acid

Systemtic Name: N-[[4-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]methyl]-1-oxidanidyl-pyridin-1-ium-3-sulfonamide; sulfuric acid Openeye Name: N-[[4-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]methyl]-1-oxido-pyridin-1-ium-3-sulfonamide; sulfuric acid CAS Name: N-[[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyl]-1-oxido-3-pyridin-1-iumsulfonamide; sulfuric acid IUPAC Name: N-[[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyl]-1-oxidopyridin-1-ium-3-sulfonamide; sulfuric acid Traditional Name: N-[4-(2-hydroxy-1,1-dimethyl-ethyl)benzyl]-1-oxido-pyridin-1-ium-3-sulfonamide; sulfuric acid Formula: C16H22N2O8S2 MolecularWeight: 434.48448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S.H2O4S/c1-16(2,12-19)14-7-5-13(6-8-14)10-17-23(21,22)15-4-3-9-18(20)11-15;1-5(2,3)4/h3-9,11,17,19H,10,12H2,1-2H3;(H2,1,2,3,4)