5-[3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[3-(cyclopentoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[3-(cyclopentoxy)-5-(4-mesylphenoxy)phenyl]-3-pyrazolin-3-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C3=CC(=O)NN3)OC4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C3=CC(=O)NN3)OC4CCCC4

InChI

InChI=1S/C21H22N2O5S/c1-29(25,26)19-8-6-16(7-9-19)28-18-11-14(20-13-21(24)23-22-20)10-17(12-18)27-15-4-2-3-5-15/h6-13,15H,2-5H2,1H3,(H2,22,23,24)