N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide Traditional Name: 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]-N-piperonyl-benzamide Formula: C22H19N3O7S MolecularWeight: 469.46716

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=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19N3O7S/c1-14-2-8-18(25(27)28)11-21(14)33(29,30)24-17-6-4-16(5-7-17)22(26)23-12-15-3-9-19-20(10-15)32-13-31-19/h2-11,24H,12-13H2,1H3,(H,23,26)