N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-(4-methyl-5-piperonyl-thiazol-2-yl)-5-nitro-benzenesulfonamide Formula: C19H17N3O6S2 MolecularWeight: 447.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H17N3O6S2/c1-11-3-5-14(22(23)24)9-18(11)30(25,26)21-19-20-12(2)17(29-19)8-13-4-6-15-16(7-13)28-10-27-15/h3-7,9H,8,10H2,1-2H3,(H,20,21)