methyl 3-[1-(phenylsulfonyl)-5-(trifluoromethyl)indol-2-yl]propanoate

Systemtic Name: methyl 3-[1-(phenylsulfonyl)-5-(trifluoromethyl)indol-2-yl]propanoate Openeye Name: methyl 3-[1-(benzenesulfonyl)-5-(trifluoromethyl)indol-2-yl]propanoate CAS Name: 3-[1-(benzenesulfonyl)-5-(trifluoromethyl)-2-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(benzenesulfonyl)-5-(trifluoromethyl)indol-2-yl]propanoate Traditional Name: 3-[1-besyl-5-(trifluoromethyl)indol-2-yl]propionic acid methyl ester Formula: C19H16F3NO4S MolecularWeight: 411.39485

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CCC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H16F3NO4S/c1-27-18(24)10-8-15-12-13-11-14(19(20,21)22)7-9-17(13)23(15)28(25,26)16-5-3-2-4-6-16/h2-7,9,11-12H,8,10H2,1H3