(2-chloranyl-5-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (2-chloro-5-methylsulfonylphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-mesyl-phenyl)-[4-(4-nitrophenyl)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)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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