sodium [4-methylsulfonyl-1-(4-nitrophenyl)sulfonyl-piperazin-2-yl] carbamate

Systemtic Name: sodium [4-methylsulfonyl-1-(4-nitrophenyl)sulfonyl-piperazin-2-yl] carbamate Openeye Name: sodium [4-methylsulfonyl-1-(4-nitrophenyl)sulfonyl-piperazin-2-yl] carbamate CAS Name: sodium carbamic acid [4-methylsulfonyl-1-(4-nitrophenyl)sulfonyl-2-piperazinyl] ester IUPAC Name: sodium [4-methylsulfonyl-1-(4-nitrophenyl)sulfonylpiperazin-2-yl] carbamate Traditional Name: sodium carbamic acid (4-mesyl-1-nosyl-piperazin-2-yl) ester Formula: C12H16N4NaO8S2+ MolecularWeight: 431.39721

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)OC(=O)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)OC(=O)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C12H16N4O8S2.Na/c1-25(20,21)14-6-7-15(11(8-14)24-12(13)17)26(22,23)10-4-2-9(3-5-10)16(18)19;/h2-5,11H,6-8H2,1H3,(H2,13,17);/q;+1