zinc [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)azanide

Systemtic Name: zinc [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)azanide Openeye Name: zinc [4-(o-tolylsulfonylcarbamoylamino)phenyl]sulfonyl-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)azanide CAS Name: zinc [4-[[[(2-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]sulfonyl-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)azanide IUPAC Name: zinc [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)azanide Traditional Name: zinc [4-(o-tolylsulfonylcarbamoylamino)phenyl]sulfonyl-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)azanide Formula: C32H30N12O14S8Zn MolecularWeight: 1128.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NN=C(S3)S(=O)(=O)N.CC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NN=C(S3)S(=O)(=O)N.[Zn+2]

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NN=C(S3)S(=O)(=O)N.CC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NN=C(S3)S(=O)(=O)N.[Zn+2]

InChI

InChI=1S/2C16H16N6O7S4.Zn/c2*1-10-4-2-3-5-13(10)33(28,29)21-14(23)18-11-6-8-12(9-7-11)32(26,27)22-15-19-20-16(30-15)31(17,24)25;/h2*2-9H,1H3,(H5,17,18,19,21,22,23,24,25);/q;;+2/p-2