2-[(2-methylphenyl)-methylsulfonyl-amino]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(2-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(N-mesyl-2-methyl-anilino)acetamide Formula: C15H18N3O4S+ MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=C(C=CC=[NH+]2)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=C(C=CC=[NH+]2)O)S(=O)(=O)C

InChI

InChI=1S/C15H17N3O4S/c1-11-6-3-4-7-12(11)18(23(2,21)22)10-14(20)17-15-13(19)8-5-9-16-15/h3-9,19H,10H2,1-2H3,(H,16,17,20)/p+1