methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]propanoate

Systemtic Name: methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxy-phenyl)sulfonyl-amino]propanoate Openeye Name: methyl (2R)-2-[(4-benzyloxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]propanoate CAS Name: (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2-bromoethyl-(2-nitro-4-phenylmethoxyphenyl)sulfonylamino]propanoate Traditional Name: (2R)-2-[(4-benzoxy-2-nitro-phenyl)sulfonyl-(2-bromoethyl)amino]propionic acid methyl ester Formula: C19H21BrN2O7S MolecularWeight: 501.34824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O7S/c1-14(19(23)28-2)21(11-10-20)30(26,27)18-9-8-16(12-17(18)22(24)25)29-13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3/t14-/m1/s1