6-[4-(5-methylsulfonyl-2-morpholin-4-yl-phenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(5-methylsulfonyl-2-morpholin-4-yl-phenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(5-methylsulfonyl-2-morpholino-benzoyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[[5-methylsulfonyl-2-(4-morpholinyl)phenyl]-oxomethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(5-methylsulfonyl-2-morpholin-4-ylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(5-mesyl-2-morpholino-benzoyl)piperazino]nicotinonitrile Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H25N5O4S/c1-32(29,30)18-3-4-20(25-10-12-31-13-11-25)19(14-18)22(28)27-8-6-26(7-9-27)21-5-2-17(15-23)16-24-21/h2-5,14,16H,6-13H2,1H3