3-nitro-N-[1,1,3-tris(oxidanylidene)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[1,1,3-tris(oxidanylidene)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzenesulfonamide Openeye Name: 3-nitro-N-(1,1,3-trioxo-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzenesulfonamide CAS Name: 3-nitro-N-(1,1,3-trioxo-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzenesulfonamide IUPAC Name: 3-nitro-N-(1,1,3-trioxo-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzenesulfonamide Traditional Name: 3-nitro-N-(1,1,3-triketo-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzenesulfonamide Formula: C14H14N2O7S2 MolecularWeight: 386.40016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C(S2(=O)=O)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)C(S2(=O)=O)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7S2/c17-13-11-6-1-2-7-12(11)24(20,21)14(13)15-25(22,23)10-5-3-4-9(8-10)16(18)19/h3-5,8,14-15H,1-2,6-7H2