cyclohexyl (4R,5R)-5-(phenylmethoxycarbonylamino)oct-1-ene-4-sulfonate

Systemtic Name: cyclohexyl (4R,5R)-5-(phenylmethoxycarbonylamino)oct-1-ene-4-sulfonate Openeye Name: cyclohexyl (4R,5R)-5-(benzyloxycarbonylamino)oct-1-ene-4-sulfonate CAS Name: (4R,5R)-5-(phenylmethoxycarbonylamino)-1-octene-4-sulfonic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,5R)-5-(phenylmethoxycarbonylamino)oct-1-ene-4-sulfonate Traditional Name: (4R,5R)-5-(benzyloxycarbonylamino)oct-1-ene-4-sulfonic acid cyclohexyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC=C)S(=O)(=O)OC1CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC[C@H]([C@@H](CC=C)S(=O)(=O)OC1CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33NO5S/c1-3-11-20(23-22(24)27-17-18-13-7-5-8-14-18)21(12-4-2)29(25,26)28-19-15-9-6-10-16-19/h4-5,7-8,13-14,19-21H,2-3,6,9-12,15-17H2,1H3,(H,23,24)/t20-,21-/m1/s1