[1-(4-nitrophenyl)pyrazol-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[1-(4-nitrophenyl)-4-pyrazolyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: (4-besylpiperazino)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5S/c26-20(16-14-21-24(15-16)17-6-8-18(9-7-17)25(27)28)22-10-12-23(13-11-22)31(29,30)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2