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

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: (3-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(12-3-1-4-13(11-12)22(24)25)20-7-9-21(10-8-20)29(26,27)15-6-2-5-14-16(15)19-28-18-14/h1-6,11H,7-10H2