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

Systemtic Name: 4-fluoranyl-2-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide Openeye Name: 4-fluoro-2-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide CAS Name: 4-fluoro-2-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: 4-fluoro-2-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide Traditional Name: 4-fluoro-2-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzenesulfonamide Formula: C17H15FN4O4S2 MolecularWeight: 422.453803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN4O4S2/c18-11-3-6-16(14(9-11)22(23)24)28(25,26)20-12-4-5-13-15(10-12)27-17(19-13)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2