N-ethylethanamine; 2-[5-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]ethanoic acid

Systemtic Name: N-ethylethanamine; 2-[5-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]ethanoic acid Openeye Name: N-ethylethanamine; 2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]acetic acid CAS Name: N-ethylethanamine; 2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]-1-indolyl]acetic acid IUPAC Name: N-ethylethanamine; 2-[5-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methyl]indol-1-yl]acetic acid Traditional Name: diethylamine; 2-[5-fluoro-3-(4-mesylbenzyl)-2-methyl-indol-1-yl]acetic acid Formula: C23H29FN2O4S MolecularWeight: 448.550763

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCNCC.CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18FNO4S.C4H11N/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;1-3-5-4-2/h3-8,10H,9,11H2,1-2H3,(H,22,23);5H,3-4H2,1-2H3