Benzenesulfonic acid, 4-[2-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-pyridinyl]amino]ethyl]-, monosodium salt

84266-39-7

CAS Name

Benzenesulfonic acid, 4-[2-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-pyridinyl]amino]ethyl]-, sodium salt (1:1)

Molecular Formula

C₁₇H₂₀N₄O₄S.Na

Other Names and Identifiers

InChI

InChI=1S/C17H20N4O4S.Na/c1-12-10-16(21-17(15(12)11-18)20-8-9-22)19-7-6-13-2-4-14(5-3-13)26(23,24)25;/h2-5,10,22H,6-9H2,1H3,(H2,19,20,21)(H,23,24,25);

InChIKey

InChIKey=PNDPDDVHEMJBND-UHFFFAOYSA-N

SMILES

C(#N)C1=C(NCCO)N=C(NCCC2=CC=C(S(=O)(=O)O)C=C2)C=C1C.[Na]

Canonical SMILES

[Na].N#CC=1C(=NC(=CC1C)NCCC2=CC=C(C=C2)S(=O)(=O)O)NCCO

Other Names for this Substance