(phenylmethyl) 6-[(3-nitrophenyl)sulfonylamino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-[(3-nitrophenyl)sulfonylamino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-6-[(3-nitrophenyl)sulfonylamino]-6-oxo-hexanoate CAS Name: 6-[(3-nitrophenyl)sulfonylamino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(3-nitrophenyl)sulfonylamino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)-6-keto-6-[(3-nitrophenyl)sulfonylamino]hexanoic acid benzyl ester Formula: C27H27N3O9S MolecularWeight: 569.58298

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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)[N+](=O)[O-])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)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O9S/c31-25(29-40(36,37)23-14-7-13-22(17-23)30(34)35)16-8-15-24(26(32)38-18-20-9-3-1-4-10-20)28-27(33)39-19-21-11-5-2-6-12-21/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,28,33)(H,29,31)