2-morpholin-4-yl-1-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-morpholin-4-yl-1-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-morpholino-1-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 2-(4-morpholinyl)-1-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-morpholin-4-yl-1-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-morpholino-1-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazino]ethanone Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)CN3CCOCC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)CN3CCOCC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H31N5O5S/c27-20(17-23-12-14-31-15-13-23)24-8-10-25(11-9-24)21(28)18-3-6-26(7-4-18)32(29,30)19-2-1-5-22-16-19/h1-2,5,16,18H,3-4,6-15,17H2