copper 4-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide ethanoate

Systemtic Name: copper 4-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide ethanoate Openeye Name: copper 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide acetate CAS Name: copper 4-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-N-(2-pyrimidinyl)benzenesulfonamide acetate IUPAC Name: copper 4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide acetate Traditional Name: cupric 4-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-(2-pyrimidyl)benzenesulfonamide acetate Formula: C36H31CuN8O8S2+ MolecularWeight: 831.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.[Cu+2]

Isomeric SMILES

CC(=O)[O-].C1=C/C(=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)/C(=O)C=C1.C1=C/C(=C/NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)/C(=O)C=C1.[Cu+2]

InChI

InChI=1S/2C17H14N4O3S.C2H4O2.Cu/c2*22-16-5-2-1-4-13(16)12-20-14-6-8-15(9-7-14)25(23,24)21-17-18-10-3-11-19-17;1-2(3)4;/h2*1-12,20H,(H,18,19,21);1H3,(H,3,4);/q;;;+2/p-1/b2*13-12-;;