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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S2/c1-18(2,3)19-30(27,28)15-4-5-16(17(12-15)22(23)24)21-9-7-20(8-10-21)14-6-11-29(25,26)13-14/h4-5,12,14,19H,6-11,13H2,1-3H3/p+1/t14-/m0/s1