(3-morpholin-4-ylsulfonylphenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O6S/c20-17(16-6-1-2-7-19(16)21)25-13-14-4-3-5-15(12-14)26(22,23)18-8-10-24-11-9-18/h1-7,12H,8-11,13H2