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

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-besyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O4S/c1-16-14-17(2)25(22-16)21-15-18(8-9-20(21)26(27)28)23-10-12-24(13-11-23)31(29,30)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3