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

Systemtic Name: 1-[2-fluoranyl-4-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]azepane Openeye Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-4-nitro-phenyl]azepane CAS Name: 1-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl]azepane IUPAC Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-4-nitrophenyl]azepane Traditional Name: 1-[5-(4-besylpiperazino)-2-fluoro-4-nitro-phenyl]azepane Formula: C22H27FN4O4S MolecularWeight: 462.537583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H27FN4O4S/c23-19-16-22(27(28)29)21(17-20(19)24-10-6-1-2-7-11-24)25-12-14-26(15-13-25)32(30,31)18-8-4-3-5-9-18/h3-5,8-9,16-17H,1-2,6-7,10-15H2