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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(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)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H26FNO5S/c1-21(2,3)16-6-8-17(9-7-16)29(25,26)23-12-11-20(24)28-14-15-5-10-19(27-4)18(22)13-15/h5-10,13,23H,11-12,14H2,1-4H3