1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]piperazino]ethanone Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-17(27)23-12-14-24(15-13-23)18-4-6-19(7-5-18)32-22-9-8-20(16-21(22)26(28)29)33(30,31)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3