2-[5-fluoranyl-2-methyl-3-[(2-pentylsulfonylphenyl)methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-[(2-pentylsulfonylphenyl)methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-3-[(2-pentylsulfonylphenyl)methyl]indol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-3-[(2-pentylsulfonylphenyl)methyl]-1-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-3-[(2-pentylsulfonylphenyl)methyl]indol-1-yl]acetic acid Traditional Name: 2-[3-(2-amylsulfonylbenzyl)-5-fluoro-2-methyl-indol-1-yl]acetic acid Formula: C23H26FNO4S MolecularWeight: 431.520243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC=CC=C1CC2=C(N(C3=C2C=C(C=C3)F)CC(=O)O)C

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC=CC=C1CC2=C(N(C3=C2C=C(C=C3)F)CC(=O)O)C

InChI

InChI=1S/C23H26FNO4S/c1-3-4-7-12-30(28,29)22-9-6-5-8-17(22)13-19-16(2)25(15-23(26)27)21-11-10-18(24)14-20(19)21/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,26,27)