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

Systemtic Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C19H20N6O6S MolecularWeight: 460.4637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6S/c1-31-18-7-6-14(12-17(18)25(27)28)32(29,30)23-10-8-22(9-11-23)13-24-19(26)15-4-2-3-5-16(15)20-21-24/h2-7,12H,8-11,13H2,1H3