(5-ethyl-1-phenyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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