1-[4-[4-(2-nitrocyclopropyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(2-nitrocyclopropyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2-nitrocyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2-nitrocyclopropyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-nitrocyclopropanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-nitrocyclopropanecarbonyl)piperazino]sulfonylphenyl]ethanone Formula: C16H19N3O6S MolecularWeight: 381.40356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-11(20)12-2-4-13(5-3-12)26(24,25)18-8-6-17(7-9-18)16(21)14-10-15(14)19(22)23/h2-5,14-15H,6-10H2,1H3