3-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C18H17BrClN5O3S MolecularWeight: 498.78128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C18H17BrClN5O3S/c19-13-5-6-17(15(20)11-13)29(27,28)24-9-7-23(8-10-24)12-25-18(26)14-3-1-2-4-16(14)21-22-25/h1-6,11H,7-10,12H2