3-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C16H16BrN5O3S2 MolecularWeight: 470.36394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C16H16BrN5O3S2/c17-14-5-6-15(26-14)27(24,25)21-9-7-20(8-10-21)11-22-16(23)12-3-1-2-4-13(12)18-19-22/h1-6H,7-11H2