[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

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