tert-butyl (2R)-2-[(2-fluoranylpyridin-3-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2R)-2-[(2-fluoranylpyridin-3-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-[(2-fluoro-3-pyridyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2R)-2-[(2-fluoro-3-pyridinyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(2-fluoropyridin-3-yl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(2-fluoro-3-pyridyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H29FN2O5S MolecularWeight: 452.539463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O5S/c1-15(2)19(21(26)30-22(3,4)5)25(14-16-8-7-13-24-20(16)23)31(27,28)18-11-9-17(29-6)10-12-18/h7-13,15,19H,14H2,1-6H3/t19-/m1/s1