4,6-dimethyl-2-oxidanylidene-5-[3-oxidanylidene-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]-1H-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-oxidanylidene-5-[3-oxidanylidene-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]-1H-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]-1H-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]propyl]-1H-pyridine-3-carbonitrile IUPAC Name: 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[3-keto-3-(4-mesitylsulfonylpiperazino)propyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(NC(=O)C(=C3C)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(NC(=O)C(=C3C)C#N)C)C

InChI

InChI=1S/C24H30N4O4S/c1-15-12-16(2)23(17(3)13-15)33(31,32)28-10-8-27(9-11-28)22(29)7-6-20-18(4)21(14-25)24(30)26-19(20)5/h12-13H,6-11H2,1-5H3,(H,26,30)