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

Systemtic Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-methyl-1-phenyl-4-pyrazolyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-methyl-1-phenylpyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c1-16-20(15-22-25(16)17-6-3-2-4-7-17)21(27)23-10-12-24(13-11-23)32(30,31)19-9-5-8-18(14-19)26(28)29/h2-9,14-15H,10-13H2,1H3