[2,6-bis(azanyl)pyridin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-bis(azanyl)pyridin-4-yl] 4-methylbenzenesulfonate Openeye Name: (2,6-diamino-4-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,6-diamino-4-pyridinyl) ester IUPAC Name: (2,6-diaminopyridin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,6-diamino-4-pyridyl) ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=C2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=C2)N)N

InChI

InChI=1S/C12H13N3O3S/c1-8-2-4-10(5-3-8)19(16,17)18-9-6-11(13)15-12(14)7-9/h2-7H,1H3,(H4,13,14,15)