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

Systemtic Name: 4-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-nitro-benzenesulfonamide Formula: C16H15ClN2O6S MolecularWeight: 398.8181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O6S/c1-18(10-11-2-5-15-16(8-11)25-7-6-24-15)26(22,23)12-3-4-13(17)14(9-12)19(20)21/h2-5,8-9H,6-7,10H2,1H3