N-(3-imidazol-1-ylpropyl)-2-oxidanylidene-3H-1,3-benzothiazole-5-sulfonamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-oxidanylidene-3H-1,3-benzothiazole-5-sulfonamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-oxo-3H-1,3-benzothiazole-5-sulfonamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-oxo-3H-1,3-benzothiazole-5-sulfonamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-oxo-3H-1,3-benzothiazole-5-sulfonamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-keto-3H-1,3-benzothiazole-5-sulfonamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NCCCN3C=CN=C3)NC(=O)S2

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NCCCN3C=CN=C3)NC(=O)S2

InChI

InChI=1S/C13H14N4O3S2/c18-13-16-11-8-10(2-3-12(11)21-13)22(19,20)15-4-1-6-17-7-5-14-9-17/h2-3,5,7-9,15H,1,4,6H2,(H,16,18)