3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propionamide Formula: C16H20N3O4S+ MolecularWeight: 350.4127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C16H19N3O4S/c1-11-5-6-12(2)14(10-11)24(22,23)18-9-7-15(21)19-16-13(20)4-3-8-17-16/h3-6,8,10,18,20H,7,9H2,1-2H3,(H,17,19,21)/p+1