2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-(4-piazthiol-4-ylsulfonylpiperazino)acetamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O5S2/c1-13-5-6-14(11-16(13)25(27)28)20-18(26)12-23-7-9-24(10-8-23)32(29,30)17-4-2-3-15-19(17)22-31-21-15/h2-6,11H,7-10,12H2,1H3,(H,20,26)