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

Systemtic Name: zinc [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Openeye Name: zinc (4-methylpyrimidin-2-yl)-[4-(p-tolylsulfonylcarbamoylamino)phenyl]sulfonyl-azanide CAS Name: zinc [4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: zinc [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: zinc (4-methylpyrimidin-2-yl)-[4-(tosylcarbamoylamino)phenyl]sulfonyl-azanide Formula: C38H36N10O10S4Zn MolecularWeight: 986.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC(=N3)C.CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC(=N3)C.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC(=N3)C.CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC(=N3)C.[Zn+2]

InChI

InChI=1S/2C19H19N5O5S2.Zn/c2*1-13-3-7-16(8-4-13)31(28,29)24-19(25)22-15-5-9-17(10-6-15)30(26,27)23-18-20-12-11-14(2)21-18;/h2*3-12H,1-2H3,(H3,20,21,22,23,24,25);/q;;+2/p-2