(2S)-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylsulfonyl)piperazine

Systemtic Name: (2S)-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylsulfonyl)piperazine Openeye Name: (2S)-1-(benzenesulfonyl)-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: (2S)-1-(benzenesulfonyl)-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: (2S)-1-(benzenesulfonyl)-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: (2S)-1-besyl-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C18H18F3N3O4S MolecularWeight: 429.41343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O4S/c1-13-12-22(9-10-23(13)29(27,28)15-5-3-2-4-6-15)16-8-7-14(18(19,20)21)11-17(16)24(25)26/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1