N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2-morpholino-5-nitro-benzamide Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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