sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanoate

Systemtic Name: sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanoate Openeye Name: sodium 2-[6-(p-tolylsulfonylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate CAS Name: sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate IUPAC Name: sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate Traditional Name: sodium 2-[6-(tosylamino)-2,4-dihydro-1H-s-triazin-3-yl]acetate Formula: C12H15N4NaO4S MolecularWeight: 334.32667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CC(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)CC(=O)[O-].[Na+]

InChI

InChI=1S/C12H16N4O4S.Na/c1-9-2-4-10(5-3-9)21(19,20)15-12-13-7-16(8-14-12)6-11(17)18;/h2-5H,6-8H2,1H3,(H,17,18)(H2,13,14,15);/q;+1/p-1