methyl 2-[[4-[(1-oxidanidylpyridin-1-ium-2-yl)carbonylamino]phenyl]sulfonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(1-oxidanidylpyridin-1-ium-2-yl)carbonylamino]phenyl]sulfonylamino]ethanoate Openeye Name: methyl 2-[[4-[(1-oxidopyridin-1-ium-2-carbonyl)amino]phenyl]sulfonylamino]acetate CAS Name: 2-[[4-[[(1-oxido-2-pyridin-1-iumyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-oxidopyridin-1-ium-2-carbonyl)amino]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[(1-oxidopyridin-1-ium-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid methyl ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H15N3O6S/c1-24-14(19)10-16-25(22,23)12-7-5-11(6-8-12)17-15(20)13-4-2-3-9-18(13)21/h2-9,16H,10H2,1H3,(H,17,20)