tert-butyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C24H31BrN2O7S MolecularWeight: 571.48114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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@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/C24H31BrN2O7S/c1-17(2)22(23(28)34-24(3,4)5)26(14-13-25)35(31,32)21-12-11-19(15-20(21)27(29)30)33-16-18-9-7-6-8-10-18/h6-12,15,17,22H,13-14,16H2,1-5H3/t22-/m1/s1