2-[[3-(4-methylsulfonylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]heptanoic acid

Systemtic Name: 2-[[3-(4-methylsulfonylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]heptanoic acid Openeye Name: 2-[[3-(4-methylsulfonylphenyl)-2-oxo-oxazolidin-5-yl]methyl]heptanoic acid CAS Name: 2-[[3-(4-methylsulfonylphenyl)-2-oxo-5-oxazolidinyl]methyl]heptanoic acid IUPAC Name: 2-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]heptanoic acid Traditional Name: 2-[[2-keto-3-(4-mesylphenyl)oxazolidin-5-yl]methyl]enanthic acid Formula: C18H25NO6S MolecularWeight: 383.4592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1CN(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCCCC(CC1CN(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C18H25NO6S/c1-3-4-5-6-13(17(20)21)11-15-12-19(18(22)25-15)14-7-9-16(10-8-14)26(2,23)24/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,20,21)