2-(2,4-dinitrophenyl)sulfinyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,4-dinitrophenyl)sulfinyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(2,4-dinitrophenyl)sulfinyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(2,4-dinitrophenyl)sulfinyl-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(2,4-dinitrophenyl)sulfinyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(2,4-dinitrophenyl)sulfinyl-1-(4-phenylpiperazino)ethanone Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CS(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CS(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c23-18(20-10-8-19(9-11-20)14-4-2-1-3-5-14)13-29(28)17-7-6-15(21(24)25)12-16(17)22(26)27/h1-7,12H,8-11,13H2