[4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-(4-methylsulfonyl-1-piperazinyl)-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-methylsulfonylpiperazin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(4-mesylpiperazino)-3-nitro-phenyl]-morpholino-methanone Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O6S/c1-27(24,25)19-6-4-17(5-7-19)14-3-2-13(12-15(14)20(22)23)16(21)18-8-10-26-11-9-18/h2-3,12H,4-11H2,1H3