[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C27H25N5O6S MolecularWeight: 547.5823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O6S/c1-38-22-13-11-20(12-14-22)26-23(19-31(28-26)21-7-3-2-4-8-21)27(33)29-15-17-30(18-16-29)39(36,37)25-10-6-5-9-24(25)32(34)35/h2-14,19H,15-18H2,1H3