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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C15H10N4O7S2 MolecularWeight: 422.3925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O7S2/c1-28(25,26)9-3-5-11-13(7-9)27-15(16-11)17-14(20)10-4-2-8(18(21)22)6-12(10)19(23)24/h2-7H,1H3,(H,16,17,20)