copper 2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]phenolate ethanoate

Systemtic Name: copper 2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]phenolate ethanoate Openeye Name: copper 2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]phenolate acetate CAS Name: copper 2-[[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]iminomethyl]phenolate acetate IUPAC Name: copper 2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]phenolate acetate Traditional Name: cupric 2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]phenolate acetate Formula: C38H33CuN8O8S2- MolecularWeight: 857.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3[O-].CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3[O-].CC(=O)[O-].[Cu+2]

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3[O-].CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3[O-].CC(=O)[O-].[Cu+2]

InChI

InChI=1S/2C18H16N4O3S.C2H4O2.Cu/c2*1-13-10-11-19-18(21-13)22-26(24,25)16-8-6-15(7-9-16)20-12-14-4-2-3-5-17(14)23;1-2(3)4;/h2*2-12,23H,1H3,(H,19,21,22);1H3,(H,3,4);/q;;;+2/p-3