N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11-7-14(19(20)21)9-17(12(11)2)26(22,23)18-10-13-3-4-15-16(8-13)25-6-5-24-15/h3-4,7-9,18H,5-6,10H2,1-2H3