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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O4S/c1-17-14-18(2)26(23-17)22-15-20(8-9-21(22)27(28)29)24-10-12-25(13-11-24)32(30,31)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3