N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

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