(1S,2S)-2-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-[5-fluoro-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-(5-fluoro-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid Formula: C19H16FNO4S MolecularWeight: 373.398043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)F)C4CC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)F)[C@H]4C[C@@H]4C(=O)O

InChI

InChI=1S/C19H16FNO4S/c1-11-2-5-13(6-3-11)26(24,25)21-10-17(14-9-16(14)19(22)23)15-8-12(20)4-7-18(15)21/h2-8,10,14,16H,9H2,1H3,(H,22,23)/t14-,16-/m0/s1