[5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O6S/c1-15-20(32(29,30)19-13-11-18(12-14-19)25(27)28)21(31-22(26)16-7-5-6-8-16)24(23-15)17-9-3-2-4-10-17/h2-4,9-14,16H,5-8H2,1H3