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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

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