ethyl (3R,4S,5S)-4-azanyl-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4S,5S)-4-azanyl-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5S)-4-amino-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5S)-4-amino-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5S)-4-amino-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5S)-4-amino-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C15H27NO6S MolecularWeight: 349.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1N)OS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C15H27NO6S/c1-5-11(6-2)21-12-8-10(15(17)20-7-3)9-13(14(12)16)22-23(4,18)19/h8,11-14H,5-7,9,16H2,1-4H3/t12-,13+,14+/m1/s1