(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23FN2O5S/c1-15(20(25)23-17-8-4-2-5-9-17)29-21(26)16-10-11-18(22)19(14-16)30(27,28)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,25)