[4-[(2S)-butan-2-yl]phenyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C21H24FNO5S/c1-3-15(2)16-4-6-17(7-5-16)28-21(24)19-14-18(8-9-20(19)22)29(25,26)23-10-12-27-13-11-23/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m0/s1