2-(methylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-(methylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-(methylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-(methylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(methylamino)-5-nitro-benzamide Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H14N4O5S2/c1-17-12-5-3-9(20(22)23)7-11(12)15(21)19-16-18-13-6-4-10(27(2,24)25)8-14(13)26-16/h3-8,17H,1-2H3,(H,18,19,21)