N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H16N2O6S/c1-11-6-7-12(18(19)20)8-16(11)25(21,22)17-9-13-10-23-14-4-2-3-5-15(14)24-13/h2-8,13,17H,9-10H2,1H3