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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-16-5-7-21(13-17(16)2)33(31,32)26-11-9-25(10-12-26)20-6-8-22(28(29)30)23(15-20)27-19(4)14-18(3)24-27/h5-8,13-15H,9-12H2,1-4H3