1-(4-methylphenyl)sulfonyl-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Openeye Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Traditional Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-tosyl-piperazine Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c1-16-2-8-19(9-3-16)31(29,30)25-12-10-23(11-13-25)15-24-14-21-20(22-24)17-4-6-18(7-5-17)26(27)28/h2-9,14H,10-13,15H2,1H3