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

Systemtic Name: 4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzamide Openeye Name: 4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide CAS Name: 4-nitro-N-[5-(1-pyrrolidinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]benzamide IUPAC Name: 4-nitro-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide Traditional Name: 4-nitro-N-[5-pyrrolidinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide Formula: C19H18F3N3O6S MolecularWeight: 473.42293

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H18F3N3O6S/c20-19(21,22)12-31-17-8-7-15(32(29,30)24-9-1-2-10-24)11-16(17)23-18(26)13-3-5-14(6-4-13)25(27)28/h3-8,11H,1-2,9-10,12H2,(H,23,26)