1-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-nitrobenzyl)sulfonylpiperazino]ethanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-11(17)14-6-8-15(9-7-14)22(20,21)10-12-4-2-3-5-13(12)16(18)19/h2-5H,6-10H2,1H3