[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-bromo-4-methoxy-phenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3-bromo-4-methoxyphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-bromo-4-methoxyphenyl)methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C18H17BrN4O4S2 MolecularWeight: 497.38598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)Br

InChI

InChI=1S/C18H17BrN4O4S2/c1-27-15-6-5-12(11-13(15)19)18(24)22-7-9-23(10-8-22)29(25,26)16-4-2-3-14-17(16)21-28-20-14/h2-6,11H,7-10H2,1H3