butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanoate

Systemtic Name: butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanoate Openeye Name: butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate CAS Name: 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate Traditional Name: 2-[1-(3-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]acetic acid butyl ester Formula: C24H26FNO4S MolecularWeight: 443.530943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCCCOC(=O)CC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C24H26FNO4S/c1-4-5-13-30-24(27)15-19-14-23(18-9-11-22(12-10-18)31(3,28)29)26(17(19)2)21-8-6-7-20(25)16-21/h6-12,14,16H,4-5,13,15H2,1-3H3