1-[3-nitro-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-[(E)-styryl]sulfonylpiperazino]phenyl]ethanone Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-16(24)18-7-8-19(20(15-18)23(25)26)21-10-12-22(13-11-21)29(27,28)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3/b14-9+