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

Systemtic Name: tert-butyl (2R)-3-methyl-2-[(2-nitro-4-phenylmethoxy-phenyl)sulfonylamino]butanoate Openeye Name: tert-butyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-[(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-methyl-2-[(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]butanoate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonylamino]-3-methyl-butyric acid tert-butyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H28N2O7S/c1-15(2)20(21(25)31-22(3,4)5)23-32(28,29)19-12-11-17(13-18(19)24(26)27)30-14-16-9-7-6-8-10-16/h6-13,15,20,23H,14H2,1-5H3/t20-/m1/s1