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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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