sodium; 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; ethanesulfonate

Systemtic Name: sodium; 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; ethanesulfonate Openeye Name: sodium; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; ethanesulfonate CAS Name: sodium; 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; ethanesulfonate IUPAC Name: sodium; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; ethanesulfonate Traditional Name: sodium 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide esylate Formula: C14H19N4NaO5S2 MolecularWeight: 410.44423

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]

Isomeric SMILES

CCS(=O)(=O)[O-].CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]

InChI

InChI=1S/C12H14N4O2S.C2H6O3S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;1-2-6(3,4)5;/h3-7H,13H2,1-2H3,(H,14,15,16);2H2,1H3,(H,3,4,5);/q;;+1/p-1