12-[[5-methylsulfonyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-pyridin-2-yl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[5-methylsulfonyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-pyridin-2-yl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[3-(4-hydroxy-4-oxo-butyl)sulfanyl-5-methylsulfonyl-2-pyridyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-[(4-hydroxy-4-oxobutyl)thio]-5-methylsulfonyl-2-pyridinyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(4-hydroxy-4-oxobutyl)sulfanyl-5-methylsulfonylpyridin-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[3-[(4-hydroxy-4-keto-butyl)thio]-5-mesyl-2-pyridyl]amino]-12-keto-lauric acid Formula: C22H34N2O7S2 MolecularWeight: 502.64456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C(=C1)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C(=C1)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H34N2O7S2/c1-33(30,31)17-15-18(32-14-10-13-21(28)29)22(23-16-17)24-19(25)11-8-6-4-2-3-5-7-9-12-20(26)27/h15-16H,2-14H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)