1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(1-phenylpyrazol-4-yl)ethanone Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c27-21(13-17-15-22-25(16-17)18-5-2-1-3-6-18)23-9-11-24(12-10-23)32(30,31)20-8-4-7-19(14-20)26(28)29/h1-8,14-16H,9-13H2