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

Systemtic Name: zinc [4-(phenylsulfonylcarbamoylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: zinc [4-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: zinc [4-[[benzenesulfonamido(oxo)methyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: zinc [4-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: zinc [4-(besylcarbamoylamino)phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C34H28N10O10S4Zn MolecularWeight: 930.31612

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Descriptors Computed from Structure

Canonical SMILES:

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

C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3.C1=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/2C17H15N5O5S2.Zn/c2*23-17(22-29(26,27)14-5-2-1-3-6-14)20-13-7-9-15(10-8-13)28(24,25)21-16-18-11-4-12-19-16;/h2*1-12H,(H3,18,19,20,21,22,23);/q;;+2/p-2