4-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(3-bromo-4-methoxy-benzyl)piperazino]sulfonylbenzofurazan Formula: C18H19BrN4O4S MolecularWeight: 467.33686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43)Br

InChI

InChI=1S/C18H19BrN4O4S/c1-26-16-6-5-13(11-14(16)19)12-22-7-9-23(10-8-22)28(24,25)17-4-2-3-15-18(17)21-27-20-15/h2-6,11H,7-10,12H2,1H3