N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S2/c22-15-4-2-12(10-14(15)21(23)24)29(25,26)19-11-1-3-13-16(9-11)28-17(18-13)20-5-7-27-8-6-20/h1-4,9-10,19,22H,5-8H2