[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23FN2O5S/c1-15-8-9-18(13-19(15)30(27,28)24-10-3-2-4-11-24)23-20(25)14-29-21(26)16-6-5-7-17(22)12-16/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,25)