1-phenylethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1-phenylethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-phenylethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 1-phenylethyl ester Formula: C20H22FNO4S MolecularWeight: 391.456383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22FNO4S/c1-15(16-8-4-2-5-9-16)26-20(23)17-10-11-18(21)19(14-17)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3