7-nitro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)dibenzofuran-2-sulfonamide

Systemtic Name: 7-nitro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)dibenzofuran-2-sulfonamide Openeye Name: 7-nitro-N-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)dibenzofuran-2-sulfonamide CAS Name: 7-nitro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2-dibenzofuransulfonamide IUPAC Name: 7-nitro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)dibenzofuran-2-sulfonamide Traditional Name: 7-nitro-N-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)dibenzofuran-2-sulfonamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)CNS(=O)(=O)C3=CC4=C(C=C3)OC5=C4C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)CNS(=O)(=O)C3=CC4=C(C=C3)OC5=C4C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S2/c24-23(25)14-5-7-17-18-10-15(6-8-19(18)28-20(17)9-14)30(26,27)22-11-13-12-29-21-4-2-1-3-16(13)21/h5-10,12,22H,1-4,11H2