[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [4-(6-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=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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