[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H23FN2O6S/c1-14-4-3-5-18(15(14)2)23-20(25)13-30-21(26)16-6-7-17(22)19(12-16)31(27,28)24-8-10-29-11-9-24/h3-7,12H,8-11,13H2,1-2H3,(H,23,25)