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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)CN(CCCCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOS(=O)(=O)CN(CCCCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O7S/c1-2-34-35(30,31)21-27(25(29)33-20-23-15-9-6-10-16-23)18-12-4-3-11-17-26-24(28)32-19-22-13-7-5-8-14-22/h5-10,13-16H,2-4,11-12,17-21H2,1H3,(H,26,28)