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

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-methylsulfonylpiperazine IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-methylsulfonylpiperazine Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-mesyl-piperazine Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N5O4S/c1-12-10-13(2)20(17-12)16-11-14(4-5-15(16)21(22)23)18-6-8-19(9-7-18)26(3,24)25/h4-5,10-11H,6-9H2,1-3H3