methyl 3-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H18ClFN2O5S/c1-11-4-5-12(18(24)27-2)8-16(11)21-17(23)10-22(28(3,25)26)13-6-7-15(20)14(19)9-13/h4-9H,10H2,1-3H3,(H,21,23)