3-[[4-[4-[[(1R)-1-(2-chloranylcyclohexen-1-yl)ethoxy]carbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfonyl]propanoic acid

Systemtic Name: 3-[[4-[4-[[(1R)-1-(2-chloranylcyclohexen-1-yl)ethoxy]carbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfonyl]propanoic acid Openeye Name: 3-[[4-[4-[[(1R)-1-(2-chlorocyclohexen-1-yl)ethoxy]carbonylamino]isoxazol-3-yl]phenyl]methylsulfonyl]propanoic acid CAS Name: 3-[[4-[4-[[[(1R)-1-(2-chloro-1-cyclohexenyl)ethoxy]-oxomethyl]amino]-3-isoxazolyl]phenyl]methylsulfonyl]propanoic acid IUPAC Name: 3-[[4-[4-[[(1R)-1-(2-chlorocyclohexen-1-yl)ethoxy]carbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfonyl]propanoic acid Traditional Name: 3-[4-[4-[[(1R)-1-(2-chlorocyclohexen-1-yl)ethoxy]carbonylamino]isoxazol-3-yl]benzyl]sulfonylpropionic acid Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(CCCC1)Cl)OC(=O)NC2=CON=C2C3=CC=C(C=C3)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

C[C@H](C1=C(CCCC1)Cl)OC(=O)NC2=CON=C2C3=CC=C(C=C3)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C22H25ClN2O7S/c1-14(17-4-2-3-5-18(17)23)32-22(28)24-19-12-31-25-21(19)16-8-6-15(7-9-16)13-33(29,30)11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27)/t14-/m1/s1