[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-(1-phenylpyrazol-4-yl)methanone Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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