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

Systemtic Name: 2-(4-nitrophenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone CAS Name: 2-(4-nitrophenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-nitrophenyl)ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O5S/c23-19(14-16-6-8-18(9-7-16)22(24)25)20-10-12-21(13-11-20)28(26,27)15-17-4-2-1-3-5-17/h1-9H,10-15H2