4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoyl]-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoyl]-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoyl]-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-oxopropyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoyl]-1-phenethylpiperazine-2,6-dione Traditional Name: 1-phenethyl-4-(3-piazthiol-4-ylsulfonylpropanoyl)piperazine-2,6-quinone Formula: C21H20N4O5S2 MolecularWeight: 472.5373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)CCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C(=O)CN1C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O5S2/c26-18(10-12-32(29,30)17-8-4-7-16-21(17)23-31-22-16)24-13-19(27)25(20(28)14-24)11-9-15-5-2-1-3-6-15/h1-8H,9-14H2