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

Systemtic Name: 5-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C23H28N4O4S MolecularWeight: 456.55782

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-15-5-6-16(2)21(13-15)32(30,31)27-11-9-26(10-12-27)22(28)8-7-19-17(3)20(14-24)23(29)25-18(19)4/h5-6,13H,7-12H2,1-4H3,(H,25,29)