(3R,4R,5R)-5-formamido-4-methylsulfonyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5R)-5-formamido-4-methylsulfonyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5R)-3-(1-ethylpropoxy)-5-formamido-4-methylsulfonyl-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5R)-5-formamido-4-methylsulfonyl-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5R)-5-formamido-4-methylsulfonyl-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5R)-3-(1-ethylpropoxy)-5-formamido-4-mesyl-cyclohexene-1-carboxylic acid Formula: C14H23NO6S MolecularWeight: 333.40052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1S(=O)(=O)C)NC=O)C(=O)O

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@H]1S(=O)(=O)C)NC=O)C(=O)O

InChI

InChI=1S/C14H23NO6S/c1-4-10(5-2)21-12-7-9(14(17)18)6-11(15-8-16)13(12)22(3,19)20/h7-8,10-13H,4-6H2,1-3H3,(H,15,16)(H,17,18)/t11-,12-,13-/m1/s1