1-[3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-(4-benzylsulfonylpiperazin-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-(4-benzylsulfonylpiperazin-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-benzylsulfonylpiperazino)-3-nitro-phenyl]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-15(23)17-7-8-18(19(13-17)22(24)25)20-9-11-21(12-10-20)28(26,27)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3