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

Systemtic Name: tert-butyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]-4-methyl-pentanoate CAS Name: (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]-4-methylpentanoate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C25H33BrN2O7S MolecularWeight: 585.50772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O7S/c1-18(2)15-22(24(29)35-25(3,4)5)27(14-13-26)36(32,33)23-12-11-20(16-21(23)28(30)31)34-17-19-9-7-6-8-10-19/h6-12,16,18,22H,13-15,17H2,1-5H3/t22-/m1/s1