N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C17H15N5O8S2 MolecularWeight: 481.4597

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O8S2/c1-30-5-4-20-14-3-2-13(32(18,28)29)9-15(14)31-17(20)19-16(23)10-6-11(21(24)25)8-12(7-10)22(26)27/h2-3,6-9H,4-5H2,1H3,(H2,18,28,29)