(3S)-N-(4-methylsulfonyl-2,6-dinitro-phenyl)-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: (3S)-N-(4-methylsulfonyl-2,6-dinitro-phenyl)-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: (3S)-N-(4-methylsulfonyl-2,6-dinitro-phenyl)-1,1-dioxo-thiolan-3-amine CAS Name: (3S)-N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxo-3-thiolanamine IUPAC Name: (3S)-N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxothiolan-3-amine Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-(4-mesyl-2,6-dinitro-phenyl)amine Formula: C11H13N3O8S2 MolecularWeight: 379.36622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N[C@H]2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O8S2/c1-23(19,20)8-4-9(13(15)16)11(10(5-8)14(17)18)12-7-2-3-24(21,22)6-7/h4-5,7,12H,2-3,6H2,1H3/t7-/m0/s1