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

Systemtic Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(3-bromophenyl)sulfonylpiperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C18H18BrN5O3S MolecularWeight: 464.33622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O3S/c19-14-4-3-5-15(12-14)28(26,27)23-10-8-22(9-11-23)13-24-18(25)16-6-1-2-7-17(16)20-21-24/h1-7,12H,8-11,13H2