(3S)-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-1-yl]sulfolane Formula: C15H22N3O6S2+ MolecularWeight: 404.48168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6S2/c1-25(21,22)13-2-3-14(15(10-13)18(19)20)17-7-5-16(6-8-17)12-4-9-26(23,24)11-12/h2-3,10,12H,4-9,11H2,1H3/p+1/t12-/m0/s1