(3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C(C)C)C(=O)OCC2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C21H26FNO5S/c1-13(2)20(23-29(25,26)17-8-6-14(3)15(4)10-17)21(24)28-12-16-7-9-19(27-5)18(22)11-16/h6-11,13,20,23H,12H2,1-5H3/t20-/m1/s1