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

Systemtic Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C18H18N6O5S MolecularWeight: 430.43772

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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[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5S/c25-18-14-5-1-2-6-15(14)19-20-23(18)13-21-9-11-22(12-10-21)30(28,29)17-8-4-3-7-16(17)24(26)27/h1-8H,9-13H2