(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5S/c1-16-21(17(2)26(23-16)18-8-4-3-5-9-18)22(28)24-12-14-25(15-13-24)33(31,32)20-11-7-6-10-19(20)27(29)30/h3-11H,12-15H2,1-2H3