N-(4,5-dimethyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H16N2O6S/c1-10-7-13(14(18(19)20)8-11(10)2)17-25(21,22)12-3-4-15-16(9-12)24-6-5-23-15/h3-4,7-9,17H,5-6H2,1-2H3