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

Systemtic Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C16H12N4O7S2 MolecularWeight: 436.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O7S2/c1-8-12(19(22)23)5-9(6-13(8)20(24)25)15(21)18-16-17-11-4-3-10(29(2,26)27)7-14(11)28-16/h3-7H,1-2H3,(H,17,18,21)