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

Systemtic Name: ethyl (3S,4R,5R)-4-azanyl-3,5-bis-(4-methylphenyl)sulfonyloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3S,4R,5R)-4-amino-3,5-bis(p-tolylsulfonyloxy)cyclohexene-1-carboxylate CAS Name: (3S,4R,5R)-4-amino-3,5-bis-(4-methylphenyl)sulfonyloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,5R)-4-amino-3,5-bis-(4-methylphenyl)sulfonyloxycyclohexene-1-carboxylate Traditional Name: (3S,4R,5R)-4-amino-3,5-ditosyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C23H27NO8S2 MolecularWeight: 509.59238

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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)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C[C@@H]([C@@H]([C@@H](C1)OS(=O)(=O)C2=CC=C(C=C2)C)N)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27NO8S2/c1-4-30-23(25)17-13-20(31-33(26,27)18-9-5-15(2)6-10-18)22(24)21(14-17)32-34(28,29)19-11-7-16(3)8-12-19/h5-13,20-22H,4,14,24H2,1-3H3/t20-,21+,22-/m0/s1