4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-2-one

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-2-one Openeye Name: 4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-2-one CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-2-piperazinone IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)piperazin-2-one Traditional Name: 4-(4-mesyl-2-nitro-phenyl)piperazin-2-one Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S/c1-20(18,19)8-2-3-9(10(6-8)14(16)17)13-5-4-12-11(15)7-13/h2-3,6H,4-5,7H2,1H3,(H,12,15)