N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-mesyl-3-nitro-benzamide Formula: C16H14N2O7S MolecularWeight: 378.35656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7S/c1-26(22,23)15-5-2-10(8-12(15)18(20)21)16(19)17-11-3-4-13-14(9-11)25-7-6-24-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)