1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-(1-phenylpyrazol-4-yl)ethanone Formula: C22H23N5O6S MolecularWeight: 485.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-33-21-8-7-19(14-20(21)27(29)30)34(31,32)25-11-9-24(10-12-25)22(28)13-17-15-23-26(16-17)18-5-3-2-4-6-18/h2-8,14-16H,9-13H2,1H3