[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(2-nitrophenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone Traditional Name: (2-nitrophenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C17H15N5O5S2 MolecularWeight: 433.4615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H15N5O5S2/c23-17(12-4-1-2-6-14(12)22(24)25)20-8-10-21(11-9-20)29(26,27)15-7-3-5-13-16(15)19-28-18-13/h1-7H,8-11H2