[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(3-fluoroanilino)-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-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-15-9-10-19(31(28,29)25-11-4-3-6-16(25)2)13-20(15)22(27)30-14-21(26)24-18-8-5-7-17(23)12-18/h5,7-10,12-13,16H,3-4,6,11,14H2,1-2H3,(H,24,26)