2-[[6-[bis(2-hydroxyethyl)amino]-5-cyano-3,4-dimethyl-pyridin-2-yl]amino]ethanesulfonic acid

Systemtic Name: 2-[[6-[bis(2-hydroxyethyl)amino]-5-cyano-3,4-dimethyl-pyridin-2-yl]amino]ethanesulfonic acid Openeye Name: 2-[[6-[bis(2-hydroxyethyl)amino]-5-cyano-3,4-dimethyl-2-pyridyl]amino]ethanesulfonic acid CAS Name: 2-[[6-[bis(2-hydroxyethyl)amino]-5-cyano-3,4-dimethyl-2-pyridinyl]amino]ethanesulfonic acid IUPAC Name: 2-[[6-[bis(2-hydroxyethyl)amino]-5-cyano-3,4-dimethylpyridin-2-yl]amino]ethanesulfonic acid Traditional Name: 2-[[6-[bis(2-hydroxyethyl)amino]-5-cyano-3,4-dimethyl-2-pyridyl]amino]ethanesulfonic acid Formula: C14H22N4O5S MolecularWeight: 358.41328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C)NCCS(=O)(=O)O)N(CCO)CCO)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C)NCCS(=O)(=O)O)N(CCO)CCO)C#N

InChI

InChI=1S/C14H22N4O5S/c1-10-11(2)13(16-3-8-24(21,22)23)17-14(12(10)9-15)18(4-6-19)5-7-20/h19-20H,3-8H2,1-2H3,(H,16,17)(H,21,22,23)