N-(4-fluoranyl-3-nitro-phenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(4-fluoro-3-nitrophenyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C16H16FN3O6S2 MolecularWeight: 429.443143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN3O6S2/c17-15-8-3-12(11-16(15)20(21)22)18-27(23,24)13-4-6-14(7-5-13)28(25,26)19-9-1-2-10-19/h3-8,11,18H,1-2,9-10H2