11-[[6-methylsulfonyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)pyridin-2-yl]amino]-11-oxidanylidene-undecanoic acid

Systemtic Name: 11-[[6-methylsulfonyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)pyridin-2-yl]amino]-11-oxidanylidene-undecanoic acid Openeye Name: 11-[[3-(4-hydroxy-4-oxo-butoxy)-6-methylsulfonyl-2-pyridyl]amino]-11-oxo-undecanoic acid CAS Name: 11-[[3-(4-hydroxy-4-oxobutoxy)-6-methylsulfonyl-2-pyridinyl]amino]-11-oxoundecanoic acid IUPAC Name: 11-[[3-(4-hydroxy-4-oxobutoxy)-6-methylsulfonylpyridin-2-yl]amino]-11-oxoundecanoic acid Traditional Name: 11-[[3-(4-hydroxy-4-keto-butoxy)-6-mesyl-2-pyridyl]amino]-11-keto-undecanoic acid Formula: C21H32N2O8S MolecularWeight: 472.55238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCC(=O)O

InChI

InChI=1S/C21H32N2O8S/c1-32(29,30)18-14-13-16(31-15-9-12-20(27)28)21(23-18)22-17(24)10-7-5-3-2-4-6-8-11-19(25)26/h13-14H,2-12,15H2,1H3,(H,25,26)(H,27,28)(H,22,23,24)