[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H24FNO5S MolecularWeight: 433.493063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FNO5S/c1-15-6-11-19(30(27,28)24-12-4-3-5-16(24)2)13-20(15)22(26)29-14-21(25)17-7-9-18(23)10-8-17/h6-11,13,16H,3-5,12,14H2,1-2H3