3-[(4-ethanoylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-[(4-ethanoylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propionamide Formula: C16H18N3O5S+ MolecularWeight: 364.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C16H17N3O5S/c1-11(20)12-4-6-13(7-5-12)25(23,24)18-10-8-15(22)19-16-14(21)3-2-9-17-16/h2-7,9,18,21H,8,10H2,1H3,(H,17,19,22)/p+1