ethyl 5-[[1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-indol-2-yl]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-indol-2-yl]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-indol-2-yl]methyl]furan-2-carboxylate CAS Name: 5-[[1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-indolyl]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[1-(4-fluorobenzyl)-5-mesyl-indol-2-yl]methyl]furan-2-carboxylic acid ethyl ester Formula: C24H22FNO5S MolecularWeight: 455.498583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CC2=CC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CC2=CC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C24H22FNO5S/c1-3-30-24(27)23-11-8-20(31-23)14-19-12-17-13-21(32(2,28)29)9-10-22(17)26(19)15-16-4-6-18(25)7-5-16/h4-13H,3,14-15H2,1-2H3