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

Systemtic Name: zinc [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: zinc [4-(p-tolylsulfonylcarbamoylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: zinc [4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: zinc [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: zinc 2-pyrimidyl-[4-(tosylcarbamoylamino)phenyl]sulfonyl-azanide Formula: C36H32N10O10S4Zn MolecularWeight: 958.36928

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

InChI

InChI=1S/2C18H17N5O5S2.Zn/c2*1-13-3-7-15(8-4-13)30(27,28)23-18(24)21-14-5-9-16(10-6-14)29(25,26)22-17-19-11-2-12-20-17;/h2*2-12H,1H3,(H3,19,20,21,22,23,24);/q;;+2/p-2