N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S2/c1-31(27,28)13-3-4-14-17(11-13)30-19(20-14)21-18(24)12-2-5-15(16(10-12)23(25)26)22-6-8-29-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,21,24)