[4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(2-morpholin-4-ylethylsulfanyl)-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(2-morpholinoethylsulfanyl)-3-nitro-phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[2-(4-morpholinyl)ethylthio]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(2-morpholin-4-ylethylsulfanyl)-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2-morpholinoethylthio)-3-nitro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4S/c28-22(26-9-7-25(8-10-26)21-3-1-2-6-23-21)18-4-5-20(19(17-18)27(29)30)32-16-13-24-11-14-31-15-12-24/h1-6,17H,7-16H2