ethyl N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]phenyl]carbonylcarbamate

Systemtic Name: ethyl N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]phenyl]carbonylcarbamate Openeye Name: ethyl N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzoyl]carbamate CAS Name: N-[[4-[(1-oxido-2-pyridin-1-iumyl)sulfonylmethyl]phenyl]-oxomethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzoyl]carbamate Traditional Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzoyl]carbamic acid ethyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)NC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H16N2O6S/c1-2-24-16(20)17-15(19)13-8-6-12(7-9-13)11-25(22,23)14-5-3-4-10-18(14)21/h3-10H,2,11H2,1H3,(H,17,19,20)