zinc [4-[(4-fluorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

Systemtic Name: zinc [4-[(4-fluorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Openeye Name: zinc [4-[(4-fluorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide CAS Name: zinc [4-[[[(4-fluorophenyl)sulfonylamino]-oxomethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: zinc [4-[(4-fluorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: zinc [4-[(4-fluorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Formula: C36H30F2N10O10S4Zn MolecularWeight: 994.350206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)F.CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)F.[Zn+2]

Isomeric SMILES

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)F.CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)F.[Zn+2]

InChI

InChI=1S/2C18H16FN5O5S2.Zn/c2*1-12-10-11-20-17(21-12)23-30(26,27)16-8-4-14(5-9-16)22-18(25)24-31(28,29)15-6-2-13(19)3-7-15;/h2*2-11H,1H3,(H3,20,21,22,23,24,25);/q;;+2/p-2