4-[4-(3-cyano-5-methylsulfonyl-6-phenyl-pyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: 4-[4-(3-cyano-5-methylsulfonyl-6-phenyl-pyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-[4-(3-cyano-5-methylsulfonyl-6-phenyl-2-pyridyl)piperazin-1-yl]-4-oxo-N-(4-pyridylmethyl)butanamide CAS Name: 4-[4-(3-cyano-5-methylsulfonyl-6-phenyl-2-pyridinyl)-1-piperazinyl]-4-oxo-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-[4-(3-cyano-5-methylsulfonyl-6-phenylpyridin-2-yl)piperazin-1-yl]-4-oxo-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-[4-(3-cyano-5-mesyl-6-phenyl-2-pyridyl)piperazino]-4-keto-N-(4-pyridylmethyl)butyramide Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N6O4S/c1-38(36,37)23-17-22(18-28)27(31-26(23)21-5-3-2-4-6-21)33-15-13-32(14-16-33)25(35)8-7-24(34)30-19-20-9-11-29-12-10-20/h2-6,9-12,17H,7-8,13-16,19H2,1H3,(H,30,34)