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

Systemtic Name: zinc (4-methylpyrimidin-2-yl)-[4-(phenylsulfonylcarbamoylamino)phenyl]sulfonyl-azanide Openeye Name: zinc [4-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide CAS Name: zinc [4-[[benzenesulfonamido(oxo)methyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: zinc [4-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: zinc [4-(besylcarbamoylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Formula: C36H32N10O10S4Zn MolecularWeight: 958.36928

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

Isomeric SMILES

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

InChI

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