tert-butyl 2-[methyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(4-sulfamoylphenoxy)-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(4-sulfamoylphenoxy)pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C17H21N5O7S MolecularWeight: 439.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O7S/c1-17(2,3)29-13(23)9-21(4)15-14(22(24)25)16(20-10-19-15)28-11-5-7-12(8-6-11)30(18,26)27/h5-8,10H,9H2,1-4H3,(H2,18,26,27)