2-(4-fluorophenyl)sulfanyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C19H20FN3O5S2 MolecularWeight: 453.507603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O5S2/c1-14-2-5-16(23(25)26)12-18(14)30(27,28)22-10-8-21(9-11-22)19(24)13-29-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3