(phenylmethyl) 6-oxidanylidene-2-(phenylmethoxycarbonylamino)-6-(phenylsulfonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-2-(phenylmethoxycarbonylamino)-6-(phenylsulfonylamino)hexanoate Openeye Name: benzyl 6-(benzenesulfonamido)-2-(benzyloxycarbonylamino)-6-oxo-hexanoate CAS Name: 6-(benzenesulfonamido)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(benzenesulfonamido)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzenesulfonamido)-2-(benzyloxycarbonylamino)-6-keto-hexanoic acid benzyl ester Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCC(=O)NS(=O)(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCC(=O)NS(=O)(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O7S/c30-25(29-37(33,34)23-15-8-3-9-16-23)18-10-17-24(26(31)35-19-21-11-4-1-5-12-21)28-27(32)36-20-22-13-6-2-7-14-22/h1-9,11-16,24H,10,17-20H2,(H,28,32)(H,29,30)