4-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: 4-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C15H9ClN4O7S2 MolecularWeight: 456.83756

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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)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClN4O7S2/c1-29(26,27)8-2-3-9-12(6-8)28-15(17-9)18-14(21)7-4-10(19(22)23)13(16)11(5-7)20(24)25/h2-6H,1H3,(H,17,18,21)