2-[phenylmethoxycarbonyl-[6-(phenylmethoxycarbonylamino)hexyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[phenylmethoxycarbonyl-[6-(phenylmethoxycarbonylamino)hexyl]amino]ethyl methanesulfonate Openeye Name: 2-[benzyloxycarbonyl-[6-(benzyloxycarbonylamino)hexyl]amino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[phenylmethoxycarbonyl-[6-(phenylmethoxycarbonylamino)hexyl]amino]ethyl ester IUPAC Name: 2-[phenylmethoxycarbonyl-[6-(phenylmethoxycarbonylamino)hexyl]amino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[6-(benzyloxycarbonylamino)hexyl-carbobenzoxy-amino]ethyl ester Formula: C25H34N2O7S MolecularWeight: 506.61166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCCCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCCN(CCCCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O7S/c1-35(30,31)34-19-18-27(25(29)33-21-23-14-8-5-9-15-23)17-11-3-2-10-16-26-24(28)32-20-22-12-6-4-7-13-22/h4-9,12-15H,2-3,10-11,16-21H2,1H3,(H,26,28)