2-(2-chloranylphenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranylphenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-chlorophenoxy)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(2-chlorophenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chlorophenoxy)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-chlorophenoxy)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O6S/c1-30(27,28)14-6-7-16(17(12-14)23(25)26)21-8-10-22(11-9-21)19(24)13-29-18-5-3-2-4-15(18)20/h2-7,12H,8-11,13H2,1H3