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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-morpholinosulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-morpholinosulfonyl-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H20N4O6S3 MolecularWeight: 520.6017

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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)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20N4O6S3/c1-2-9-25-18-8-7-17(33(22,27)28)14-19(18)32-21(25)23-20(26)15-3-5-16(6-4-15)34(29,30)24-10-12-31-13-11-24/h1,3-8,14H,9-13H2,(H2,22,27,28)