O1-tert-butyl O6-methyl (2R)-2-[(2-nitro-4-phenylmethoxy-phenyl)sulfonylamino]hexanedioate

Systemtic Name: O1-tert-butyl O6-methyl (2R)-2-[(2-nitro-4-phenylmethoxy-phenyl)sulfonylamino]hexanedioate Openeye Name: O1-tert-butyl O6-methyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonylamino]hexanedioate CAS Name: (2R)-2-[(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]hexanedioic acid O1-tert-butyl ester O6-methyl ester IUPAC Name: 1-O-tert-butyl 6-O-methyl (2R)-2-[(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]hexanedioate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonylamino]adipic acid O1-tert-butyl ester O6-methyl ester Formula: C24H30N2O9S MolecularWeight: 522.568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CCCC(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O9S/c1-24(2,3)35-23(28)19(11-8-12-22(27)33-4)25-36(31,32)21-14-13-18(15-20(21)26(29)30)34-16-17-9-6-5-7-10-17/h5-7,9-10,13-15,19,25H,8,11-12,16H2,1-4H3/t19-/m1/s1