N-(4-methylsulfonylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(4-methylsulfonylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(4-methylsulfonylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(4-methylsulfonylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(4-methylsulfonylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(4-mesylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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