4-[[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]butan-2-ol

Systemtic Name: 4-[[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]butan-2-ol Openeye Name: 4-[[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]butan-2-ol CAS Name: 4-[[5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolyl]methoxy]-2-butanol IUPAC Name: 4-[[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methoxy]butan-2-ol Traditional Name: 4-[[5-(4-mesylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]butan-2-ol Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOCC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)O

Isomeric SMILES

CC(CCOCC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)O

InChI

InChI=1S/C21H24N2O4S/c1-16(24)12-13-27-15-18-14-21(23(22-18)19-6-4-3-5-7-19)17-8-10-20(11-9-17)28(2,25)26/h3-11,14,16,24H,12-13,15H2,1-2H3