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

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H29N4O6S2+ MolecularWeight: 461.57606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S2/c1-3-21(4-2)30(27,28)16-5-6-17(18(13-16)22(23)24)20-10-8-19(9-11-20)15-7-12-29(25,26)14-15/h5-6,13,15H,3-4,7-12,14H2,1-2H3/p+1/t15-/m0/s1