methyl 3-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[2-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]-2-methyl-benzoate CAS Name: 3-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate Traditional Name: 3-[2-(4-fluoro-N-mesyl-anilino)butanoylamino]-2-methyl-benzoic acid methyl ester Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1C)C(=O)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1C)C(=O)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C20H23FN2O5S/c1-5-18(23(29(4,26)27)15-11-9-14(21)10-12-15)19(24)22-17-8-6-7-16(13(17)2)20(25)28-3/h6-12,18H,5H2,1-4H3,(H,22,24)