[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: [4-(4-methylsulfonylphenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: [4-(4-methylsulfonylphenyl)piperazin-1-yl]-(2-morpholino-5-nitro-phenyl)methanone CAS Name: [4-(4-methylsulfonylphenyl)-1-piperazinyl]-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: [4-(4-methylsulfonylphenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: [4-(4-mesylphenyl)piperazino]-(2-morpholino-5-nitro-phenyl)methanone Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H26N4O6S/c1-33(30,31)19-5-2-17(3-6-19)23-8-10-25(11-9-23)22(27)20-16-18(26(28)29)4-7-21(20)24-12-14-32-15-13-24/h2-7,16H,8-15H2,1H3