azanium 2-[5-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]ethanoate

Systemtic Name: azanium 2-[5-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]ethanoate Openeye Name: ammonium 2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]acetate CAS Name: ammonium 2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]-1-indolyl]acetate IUPAC Name: azanium 2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]acetate Traditional Name: ammonium 2-[5-fluoro-3-(4-mesylbenzyl)-2-methyl-indol-1-yl]acetate Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)[O-])C=CC(=C2)F)CC3=CC=C(C=C3)S(=O)(=O)C.[NH4+]

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)[O-])C=CC(=C2)F)CC3=CC=C(C=C3)S(=O)(=O)C.[NH4+]

InChI

InChI=1S/C19H18FNO4S.H3N/c1-12-16(9-13-3-6-15(7-4-13)26(2,24)25)17-10-14(20)5-8-18(17)21(12)11-19(22)23;/h3-8,10H,9,11H2,1-2H3,(H,22,23);1H3