4,6-dimethyl-5-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-[3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4,6-dimethyl-5-[3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[3-keto-3-[4-(4-mesyl-2-nitro-phenyl)piperazino]propyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C22H25N5O6S MolecularWeight: 487.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C22H25N5O6S/c1-14-17(15(2)24-22(29)18(14)13-23)5-7-21(28)26-10-8-25(9-11-26)19-6-4-16(34(3,32)33)12-20(19)27(30)31/h4,6,12H,5,7-11H2,1-3H3,(H,24,29)