ethyl (3R,4S,5R)-4-methylsulfonyloxy-3-pentan-3-yloxy-5-[(phenylmethylidene)amino]cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4S,5R)-4-methylsulfonyloxy-3-pentan-3-yloxy-5-[(phenylmethylidene)amino]cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-5-(benzylideneamino)-3-(1-ethylpropoxy)-4-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4-methylsulfonyloxy-3-pentan-3-yloxy-5-[(phenylmethylene)amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-5-(benzylideneamino)-4-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-5-(benzalamino)-3-(1-ethylpropoxy)-4-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1OS(=O)(=O)C)N=CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@@H]1OS(=O)(=O)C)N=CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H31NO6S/c1-5-18(6-2)28-20-14-17(22(24)27-7-3)13-19(21(20)29-30(4,25)26)23-15-16-11-9-8-10-12-16/h8-12,14-15,18-21H,5-7,13H2,1-4H3/t19-,20-,21+/m1/s1