2-(4-nitroimidazol-1-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitroimidazol-1-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 2-(4-nitro-1-imidazolyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-nitroimidazol-1-yl)ethanone Formula: C16H19N5O5S MolecularWeight: 393.41756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=C(N=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=C(N=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O5S/c22-16(11-18-10-15(17-13-18)21(23)24)19-6-8-20(9-7-19)27(25,26)12-14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2