4-[4-methyl-2-(12-sulfinododecanoylamino)pyridin-3-yl]oxybutanoic acid

Systemtic Name: 4-[4-methyl-2-(12-sulfinododecanoylamino)pyridin-3-yl]oxybutanoic acid Openeye Name: 4-[[4-methyl-2-(12-sulfinododecanoylamino)-3-pyridyl]oxy]butanoic acid CAS Name: 4-[[4-methyl-2-[(1-oxo-12-sulfinododecyl)amino]-3-pyridinyl]oxy]butanoic acid IUPAC Name: 4-[4-methyl-2-(12-sulfinododecanoylamino)pyridin-3-yl]oxybutanoic acid Traditional Name: 4-[[4-methyl-2-(12-sulfinododecanoylamino)-3-pyridyl]oxy]butyric acid Formula: C22H36N2O6S MolecularWeight: 456.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NC(=O)CCCCCCCCCCCS(=O)O)OCCCC(=O)O

Isomeric SMILES

CC1=C(C(=NC=C1)NC(=O)CCCCCCCCCCCS(=O)O)OCCCC(=O)O

InChI

InChI=1S/C22H36N2O6S/c1-18-14-15-23-22(21(18)30-16-11-13-20(26)27)24-19(25)12-9-7-5-3-2-4-6-8-10-17-31(28)29/h14-15H,2-13,16-17H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)