4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H23N4O6S2+ MolecularWeight: 419.49632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O6S2/c1-16-27(24,25)13-2-3-14(15(10-13)19(20)21)18-7-5-17(6-8-18)12-4-9-26(22,23)11-12/h2-3,10,12,16H,4-9,11H2,1H3/p+1/t12-/m0/s1