3-[3-(4-methylsulfonyl-3-morpholin-4-ylcarbonyl-piperazin-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-(4-methylsulfonyl-3-morpholin-4-ylcarbonyl-piperazin-1-yl)propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-methylsulfonyl-3-(morpholine-4-carbonyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-methylsulfonyl-3-[4-morpholinyl(oxo)methyl]-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-methylsulfonyl-3-(morpholine-4-carbonyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-mesyl-3-(morpholine-4-carbonyl)piperazino]propoxy]benzonitrile Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1C(=O)N2CCOCC2)CCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1C(=O)N2CCOCC2)CCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H28N4O5S/c1-30(26,27)24-8-7-22(16-19(24)20(25)23-9-12-28-13-10-23)6-3-11-29-18-5-2-4-17(14-18)15-21/h2,4-5,14,19H,3,6-13,16H2,1H3