[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [(1R)-2-(2-fluoroanilino)-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=C1F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23FN2O5S/c1-15(20(25)23-19-8-4-3-7-18(19)22)29-21(26)16-9-11-17(12-10-16)30(27,28)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,25)/t15-/m1/s1