methyl 2-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-(2-methylphenyl)amino]ethanoate

Systemtic Name: methyl 2-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-(2-methylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-(4-fluoro-3-morpholinosulfonyl-benzoyl)-2-methyl-anilino)acetate CAS Name: 2-(N-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-2-methylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)-2-methylanilino)acetate Traditional Name: 2-(N-(4-fluoro-3-morpholinosulfonyl-benzoyl)-2-methyl-anilino)acetic acid methyl ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OC)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

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