(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=C(C=C1)OC)F)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC(=C(C=C1)OC)F)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26FNO5S/c1-14(20(24)28-13-15-6-11-19(27-5)18(22)12-15)23-29(25,26)17-9-7-16(8-10-17)21(2,3)4/h6-12,14,23H,13H2,1-5H3/t14-/m0/s1