4-morpholin-4-yl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-morpholino-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-morpholino-3-nitro-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H19N5O6S2 MolecularWeight: 501.53546

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6S2/c1-2-7-25-17-6-4-15(34(22,30)31)13-19(17)33-21(25)23-20(27)14-3-5-16(18(12-14)26(28)29)24-8-10-32-11-9-24/h1,3-6,12-13H,7-11H2,(H2,22,30,31)