ethyl (1R,2S,4S)-4-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S,4S)-4-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S,4S)-2-(benzyloxycarbonylamino)-4-(p-tolylsulfonyloxy)cyclohexanecarboxylate CAS Name: (1R,2S,4S)-4-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,4S)-4-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate Traditional Name: (1R,2S,4S)-2-(benzyloxycarbonylamino)-4-tosyloxy-cyclohexanecarboxylic acid ethyl ester Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1NC(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]1CC[C@@H](C[C@@H]1NC(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H29NO7S/c1-3-30-23(26)21-14-11-19(32-33(28,29)20-12-9-17(2)10-13-20)15-22(21)25-24(27)31-16-18-7-5-4-6-8-18/h4-10,12-13,19,21-22H,3,11,14-16H2,1-2H3,(H,25,27)/t19-,21+,22-/m0/s1