N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(4-mesylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O6S/c1-34(31,32)26-10-8-24(9-11-26)19-5-3-2-4-18(19)23-22(28)17-6-7-20(21(16-17)27(29)30)25-12-14-33-15-13-25/h2-7,16H,8-15H2,1H3,(H,23,28)