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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 2-(4-nitrophenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 2-(4-nitrophenyl)-1-(4-tosylpiperazino)ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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