ethyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: ethyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate Openeye Name: ethyl 7-(benzyloxycarbonylamino)-2-phenyl-3-(p-tolylsulfonyloxy)heptanoate CAS Name: 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 7-(benzyloxycarbonylamino)-2-phenyl-3-tosyloxy-enanthic acid ethyl ester Formula: C30H35NO7S MolecularWeight: 553.6664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)C(CCCCNC(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)C(CCCCNC(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H35NO7S/c1-3-36-29(32)28(25-14-8-5-9-15-25)27(38-39(34,35)26-19-17-23(2)18-20-26)16-10-11-21-31-30(33)37-22-24-12-6-4-7-13-24/h4-9,12-15,17-20,27-28H,3,10-11,16,21-22H2,1-2H3,(H,31,33)