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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C)C#N

InChI

InChI=1S/C22H26N4O4S/c1-16-19(17(2)24-22(28)20(16)14-23)8-9-21(27)25-10-12-26(13-11-25)31(29,30)15-18-6-4-3-5-7-18/h3-7H,8-13,15H2,1-2H3,(H,24,28)