(4-methylsulfonylpiperazin-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-(4-nitrophenyl)methanone Openeye Name: (4-methylsulfonylpiperazin-1-yl)-(4-nitrophenyl)methanone CAS Name: (4-methylsulfonyl-1-piperazinyl)-(4-nitrophenyl)methanone IUPAC Name: (4-methylsulfonylpiperazin-1-yl)-(4-nitrophenyl)methanone Traditional Name: (4-mesylpiperazino)-(4-nitrophenyl)methanone Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-21(19,20)14-8-6-13(7-9-14)12(16)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3