2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-1-(4-phenylpiperazino)ethanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-29(26,27)16-7-8-18(17(13-16)22(24)25)28-14-19(23)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3