N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-phthalazine-1-carboxamide Formula: C23H16N4O4S2 MolecularWeight: 476.52754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H16N4O4S2/c1-33(30,31)15-11-12-18-19(13-15)32-23(24-18)25-21(28)20-16-9-5-6-10-17(16)22(29)27(26-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,25,28)