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

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)sulfonyl-piperazine CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-(4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5S/c1-16-14-17(2)26(23-16)22-15-18(4-9-21(22)27(28)29)24-10-12-25(13-11-24)33(30,31)20-7-5-19(32-3)6-8-20/h4-9,14-15H,10-13H2,1-3H3