cyclohexyl (4S,5S)-7-phenyl-5-(phenylmethoxycarbonylamino)hept-1-ene-4-sulfonate

Systemtic Name: cyclohexyl (4S,5S)-7-phenyl-5-(phenylmethoxycarbonylamino)hept-1-ene-4-sulfonate Openeye Name: cyclohexyl (4S,5S)-5-(benzyloxycarbonylamino)-7-phenyl-hept-1-ene-4-sulfonate CAS Name: (4S,5S)-7-phenyl-5-(phenylmethoxycarbonylamino)-1-heptene-4-sulfonic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S,5S)-7-phenyl-5-(phenylmethoxycarbonylamino)hept-1-ene-4-sulfonate Traditional Name: (4S,5S)-5-(benzyloxycarbonylamino)-7-phenyl-hept-1-ene-4-sulfonic acid cyclohexyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

C=CC[C@@H]([C@H](CCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C27H35NO5S/c1-2-12-26(34(30,31)33-24-17-10-5-11-18-24)25(20-19-22-13-6-3-7-14-22)28-27(29)32-21-23-15-8-4-9-16-23/h2-4,6-9,13-16,24-26H,1,5,10-12,17-21H2,(H,28,29)/t25-,26-/m0/s1