1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-tosyl-piperazine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H25N5O4S/c1-16-4-7-20(8-5-16)32(30,31)25-12-10-24(11-13-25)19-6-9-21(27(28)29)22(15-19)26-18(3)14-17(2)23-26/h4-9,14-15H,10-13H2,1-3H3