N-(1-cyanocyclohexyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(3-pyridylsulfonyl)piperazino]acetamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H25N5O3S/c19-15-18(6-2-1-3-7-18)21-17(24)14-22-9-11-23(12-10-22)27(25,26)16-5-4-8-20-13-16/h4-5,8,13H,1-3,6-7,9-12,14H2,(H,21,24)