methyl (1R,2S)-2-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[5-fluoro-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylate CAS Name: (1R,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate Traditional Name: (1R,2S)-2-(5-fluoro-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid methyl ester Formula: C20H18FNO4S MolecularWeight: 387.424623

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18FNO4S/c1-12-3-6-14(7-4-12)27(24,25)22-11-18(15-10-17(15)20(23)26-2)16-9-13(21)5-8-19(16)22/h3-9,11,15,17H,10H2,1-2H3/t15-,17+/m0/s1