1-[3-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[1-(3-nitrophenyl)ethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[1-(3-nitrophenyl)ethyl]piperazino]sulfonylphenyl]ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15(17-5-3-7-19(13-17)23(25)26)21-9-11-22(12-10-21)29(27,28)20-8-4-6-18(14-20)16(2)24/h3-8,13-15H,9-12H2,1-2H3