tert-butyl (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoate

Systemtic Name: tert-butyl (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoate Openeye Name: tert-butyl (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(3-pyridylmethyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(3-pyridinylmethyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[nosyl(3-pyridylmethyl)amino]butyric acid tert-butyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-15(2)19(20(25)30-21(3,4)5)23(14-16-7-6-12-22-13-16)31(28,29)18-10-8-17(9-11-18)24(26)27/h6-13,15,19H,14H2,1-5H3/t19-/m1/s1