1-[2-fluoranyl-4-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-4-methyl-piperazine

Systemtic Name: 1-[2-fluoranyl-4-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-4-methyl-piperazine Openeye Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-4-nitro-phenyl]-4-methyl-piperazine CAS Name: 1-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl]-4-methylpiperazine IUPAC Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-4-nitrophenyl]-4-methylpiperazine Traditional Name: 1-[5-(4-besylpiperazino)-2-fluoro-4-nitro-phenyl]-4-methyl-piperazine Formula: C21H26FN5O4S MolecularWeight: 463.525643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H26FN5O4S/c1-23-7-9-24(10-8-23)19-16-20(21(27(28)29)15-18(19)22)25-11-13-26(14-12-25)32(30,31)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3