2,2-dimethyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[(1-oxido-4-pyridin-1-iumyl)oxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])C(=O)O)C

InChI

InChI=1S/C18H20N2O6S2/c1-18(2)16(17(21)22)20(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19(23)10-8-14/h3-10,16H,11-12H2,1-2H3,(H,21,22)