N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C16H13N5O7S2 MolecularWeight: 451.43372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O7S2/c1-19(2)30(27,28)12-3-4-13-14(8-12)29-16(17-13)18-15(22)9-5-10(20(23)24)7-11(6-9)21(25)26/h3-8H,1-2H3,(H,17,18,22)