1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-coumaran-5-ylsulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S/c20-19(21,22)14-1-3-16(17(12-14)25(26)27)23-6-8-24(9-7-23)31(28,29)15-2-4-18-13(11-15)5-10-30-18/h1-4,11-12H,5-10H2