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

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-indan-5-ylsulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-indan-5-ylsulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O4S/c21-20(22,23)16-5-7-18(19(13-16)26(27)28)24-8-10-25(11-9-24)31(29,30)17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13H,1-3,8-11H2