1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C15H18N6O5S MolecularWeight: 394.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O5S/c1-12-2-4-13(5-3-12)27(25,26)20-8-6-18(7-9-20)14(22)10-19-11-16-15(17-19)21(23)24/h2-5,11H,6-10H2,1H3