5-(4-methylsulfonylphenyl)-3-(3-phenoxybutoxymethyl)-1-phenyl-pyrazole

Systemtic Name: 5-(4-methylsulfonylphenyl)-3-(3-phenoxybutoxymethyl)-1-phenyl-pyrazole Openeye Name: 5-(4-methylsulfonylphenyl)-3-(3-phenoxybutoxymethyl)-1-phenyl-pyrazole CAS Name: 5-(4-methylsulfonylphenyl)-3-(3-phenoxybutoxymethyl)-1-phenylpyrazole IUPAC Name: 5-(4-methylsulfonylphenyl)-3-(3-phenoxybutoxymethyl)-1-phenylpyrazole Traditional Name: 5-(4-mesylphenyl)-3-(3-phenoxybutoxymethyl)-1-phenyl-pyrazole Formula: C27H28N2O4S MolecularWeight: 476.58722

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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)OC4=CC=CC=C4

Isomeric SMILES

CC(CCOCC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-21(33-25-11-7-4-8-12-25)17-18-32-20-23-19-27(29(28-23)24-9-5-3-6-10-24)22-13-15-26(16-14-22)34(2,30)31/h3-16,19,21H,17-18,20H2,1-2H3