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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-4-methyl-3-nitro-benzenesulfonamide Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S2/c1-3-14(11-6-7-22(18,19)9-11)23(20,21)12-5-4-10(2)13(8-12)15(16)17/h4-5,8,11H,3,6-7,9H2,1-2H3/t11-/m0/s1