[4-(5-methylpyrazol-1-yl)phenyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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