1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-tosyl-piperazine Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O6S2/c1-14-3-7-17(8-4-14)28(24,25)19-9-11-20(12-10-19)29(26,27)18-13-16(21(22)23)6-5-15(18)2/h3-8,13H,9-12H2,1-2H3