cyclohexyl (4R,5R)-2-methyl-5-(phenylmethoxycarbonylamino)hept-1-ene-4-sulfonate

Systemtic Name: cyclohexyl (4R,5R)-2-methyl-5-(phenylmethoxycarbonylamino)hept-1-ene-4-sulfonate Openeye Name: cyclohexyl (4R,5R)-5-(benzyloxycarbonylamino)-2-methyl-hept-1-ene-4-sulfonate CAS Name: (4R,5R)-2-methyl-5-(phenylmethoxycarbonylamino)-1-heptene-4-sulfonic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,5R)-2-methyl-5-(phenylmethoxycarbonylamino)hept-1-ene-4-sulfonate Traditional Name: (4R,5R)-5-(benzyloxycarbonylamino)-2-methyl-hept-1-ene-4-sulfonic acid cyclohexyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5S/c1-4-20(23-22(24)27-16-18-11-7-5-8-12-18)21(15-17(2)3)29(25,26)28-19-13-9-6-10-14-19/h5,7-8,11-12,19-21H,2,4,6,9-10,13-16H2,1,3H3,(H,23,24)/t20-,21-/m1/s1