4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzenesulfonamide Openeye Name: 4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide CAS Name: 4-nitro-N-[5-(1-pyrrolidinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide Traditional Name: 4-nitro-N-[5-pyrrolidinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide Formula: C18H18F3N3O7S2 MolecularWeight: 509.47663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O7S2/c19-18(20,21)12-31-17-8-7-15(33(29,30)23-9-1-2-10-23)11-16(17)22-32(27,28)14-5-3-13(4-6-14)24(25)26/h3-8,11,22H,1-2,9-10,12H2