[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

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