(phenylmethyl) 2-ethoxysulfonyl-2-[6-(phenylmethoxycarbonylamino)hexylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-ethoxysulfonyl-2-[6-(phenylmethoxycarbonylamino)hexylamino]ethanoate Openeye Name: benzyl 2-[6-(benzyloxycarbonylamino)hexylamino]-2-ethoxysulfonyl-acetate CAS Name: 2-ethoxysulfonyl-2-[6-(phenylmethoxycarbonylamino)hexylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethoxysulfonyl-2-[6-(phenylmethoxycarbonylamino)hexylamino]acetate Traditional Name: 2-[6-(benzyloxycarbonylamino)hexylamino]-2-ethoxysulfonyl-acetic acid benzyl ester Formula: C25H34N2O7S MolecularWeight: 506.61166

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(=O)OCC1=CC=CC=C1)NCCCCCCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOS(=O)(=O)C(C(=O)OCC1=CC=CC=C1)NCCCCCCNC(=O)OCC2=CC=CC=C2

InChI

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