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

Systemtic Name: 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COCCNC1=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/C18H18N4O6S2/c1-28-8-7-19-14-5-3-11(22(24)25)9-13(14)17(23)21-18-20-15-6-4-12(30(2,26)27)10-16(15)29-18/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21,23)