(2-chlorophenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-chlorophenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2-chlorophenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (2-chlorophenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-chlorophenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-chlorophenyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5S/c1-28(26,27)13-6-7-16(17(12-13)22(24)25)20-8-10-21(11-9-20)18(23)14-4-2-3-5-15(14)19/h2-7,12H,8-11H2,1H3