sodium 2-[(4-methylpyridin-2-yl)amino]benzenesulfonate

Systemtic Name: sodium 2-[(4-methylpyridin-2-yl)amino]benzenesulfonate Openeye Name: sodium 2-[(4-methyl-2-pyridyl)amino]benzenesulfonate CAS Name: sodium 2-[(4-methyl-2-pyridinyl)amino]benzenesulfonate IUPAC Name: sodium 2-[(4-methylpyridin-2-yl)amino]benzenesulfonate Traditional Name: sodium 2-[(4-methyl-2-pyridyl)amino]besylate Formula: C12H11N2NaO3S MolecularWeight: 286.28211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC2=CC=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=NC=C1)NC2=CC=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H12N2O3S.Na/c1-9-6-7-13-12(8-9)14-10-4-2-3-5-11(10)18(15,16)17;/h2-8H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1