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

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-4-nitro-benzenesulfonamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-4-nitro-benzenesulfonamide Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S2/c22-21(23)13-2-4-14(5-3-13)28(24,25)19-12-1-6-15-16(11-12)27-17(18-15)20-7-9-26-10-8-20/h1-6,11,19H,7-10H2