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

Systemtic Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl propanoate Openeye Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[1-(4-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]ethyl ester Formula: C23H24FNO4S MolecularWeight: 429.504363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC(=O)OCCC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H24FNO4S/c1-4-23(26)29-14-13-18-15-22(17-5-11-21(12-6-17)30(3,27)28)25(16(18)2)20-9-7-19(24)8-10-20/h5-12,15H,4,13-14H2,1-3H3