2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl benzoate

Systemtic Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl benzoate Openeye Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl benzoate CAS Name: benzoic acid 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]ethyl ester IUPAC Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl benzoate Traditional Name: benzoic acid 2-[1-(4-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]ethyl ester Formula: C27H24FNO4S MolecularWeight: 477.547163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24FNO4S/c1-19-22(16-17-33-27(30)21-6-4-3-5-7-21)18-26(29(19)24-12-10-23(28)11-13-24)20-8-14-25(15-9-20)34(2,31)32/h3-15,18H,16-17H2,1-2H3