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

Systemtic Name: 4,6-dimethyl-5-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]-1H-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-[3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4,6-dimethyl-5-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[3-keto-3-(4-tosylpiperazino)propyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-15-4-6-18(7-5-15)31(29,30)26-12-10-25(11-13-26)21(27)9-8-19-16(2)20(14-23)22(28)24-17(19)3/h4-7H,8-13H2,1-3H3,(H,24,28)