4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-phenethyl-5-(phenylmethoxymethyl)pyrazole

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-phenethyl-5-(phenylmethoxymethyl)pyrazole Openeye Name: 5-(benzyloxymethyl)-4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-1-phenethyl-pyrazole CAS Name: 4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenethyl-5-(phenylmethoxymethyl)pyrazole IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenethyl-5-(phenylmethoxymethyl)pyrazole Traditional Name: 5-(benzoxymethyl)-4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)-1-phenethyl-pyrazole Formula: C33H31FN2O4S MolecularWeight: 570.673643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CCC4=CC=CC=C4)COCC5=CC=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CCC4=CC=CC=C4)COCC5=CC=CC=C5)F

InChI

InChI=1S/C33H31FN2O4S/c1-39-31-18-15-27(21-29(31)34)32-30(23-40-22-25-11-7-4-8-12-25)36(20-19-24-9-5-3-6-10-24)35-33(32)26-13-16-28(17-14-26)41(2,37)38/h3-18,21H,19-20,22-23H2,1-2H3