N-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]ethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)ethyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-(4-nitro-2-pyrrolidinosulfonyl-anilino)ethyl]-4-(trifluoromethyl)benzamide Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N4O5S/c21-20(22,23)15-5-3-14(4-6-15)19(28)25-10-9-24-17-8-7-16(27(29)30)13-18(17)33(31,32)26-11-1-2-12-26/h3-8,13,24H,1-2,9-12H2,(H,25,28)