O1-tert-butyl O5-methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]pentanedioate

Systemtic Name: O1-tert-butyl O5-methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]pentanedioate Openeye Name: O1-tert-butyl O5-methyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]pentanedioate CAS Name: (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]pentanedioic acid O1-tert-butyl ester O5-methyl ester IUPAC Name: 1-O-tert-butyl 5-O-methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]pentanedioate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]glutaric acid O1-tert-butyl ester O5-methyl ester Formula: C25H31BrN2O9S MolecularWeight: 615.49064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)OC)N(CCBr)S(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CCC(=O)OC)N(CCBr)S(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H31BrN2O9S/c1-25(2,3)37-24(30)20(11-13-23(29)35-4)27(15-14-26)38(33,34)22-12-10-19(16-21(22)28(31)32)36-17-18-8-6-5-7-9-18/h5-10,12,16,20H,11,13-15,17H2,1-4H3/t20-/m1/s1