ethyl (3R,4R,5R)-4-azanyl-3-bromanyl-5-(4-methylphenyl)sulfonyloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5R)-4-azanyl-3-bromanyl-5-(4-methylphenyl)sulfonyloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5R)-4-amino-3-bromo-5-(p-tolylsulfonyloxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5R)-4-amino-3-bromo-5-(4-methylphenyl)sulfonyloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5R)-4-amino-3-bromo-5-(4-methylphenyl)sulfonyloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5R)-4-amino-3-bromo-5-tosyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)OS(=O)(=O)C2=CC=C(C=C2)C)N)Br

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]([C@@H](C1)OS(=O)(=O)C2=CC=C(C=C2)C)N)Br

InChI

InChI=1S/C16H20BrNO5S/c1-3-22-16(19)11-8-13(17)15(18)14(9-11)23-24(20,21)12-6-4-10(2)5-7-12/h4-8,13-15H,3,9,18H2,1-2H3/t13-,14-,15+/m1/s1