[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-(4-morpholino-3-nitro-phenyl)methanone Formula: C23H25N5O6S2 MolecularWeight: 531.6045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S2/c1-36(32,33)20-4-2-3-19-21(20)24-23(35-19)27-9-7-26(8-10-27)22(29)16-5-6-17(18(15-16)28(30)31)25-11-13-34-14-12-25/h2-6,15H,7-14H2,1H3