4-[5-methylsulfonyl-2-(11-sulfoundecanoylamino)pyridin-3-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-methylsulfonyl-2-(11-sulfoundecanoylamino)pyridin-3-yl]sulfanylbutanoic acid Openeye Name: 4-[[5-methylsulfonyl-2-(11-sulfoundecanoylamino)-3-pyridyl]sulfanyl]butanoic acid CAS Name: 4-[[5-methylsulfonyl-2-[(1-oxo-11-sulfoundecyl)amino]-3-pyridinyl]thio]butanoic acid IUPAC Name: 4-[5-methylsulfonyl-2-(11-sulfoundecanoylamino)pyridin-3-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-mesyl-2-(11-sulfoundecanoylamino)-3-pyridyl]thio]butyric acid Formula: C21H34N2O8S3 MolecularWeight: 538.69826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O8S3/c1-33(27,28)17-15-18(32-13-10-12-20(25)26)21(22-16-17)23-19(24)11-8-6-4-2-3-5-7-9-14-34(29,30)31/h15-16H,2-14H2,1H3,(H,25,26)(H,22,23,24)(H,29,30,31)