1-[3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(benzenesulfonyl)-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-besylpiperazino)-3-nitro-phenyl]ethanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-14(22)15-7-8-17(18(13-15)21(23)24)19-9-11-20(12-10-19)27(25,26)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3