methyl 3-[2-[(4-fluorophenyl)-(phenylsulfonyl)amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)-(phenylsulfonyl)amino]ethanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-4-fluoro-anilino]acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]-1-oxoethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(N-besyl-4-fluoro-anilino)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21FN2O5S/c1-16-20(23(28)31-2)9-6-10-21(16)25-22(27)15-26(18-13-11-17(24)12-14-18)32(29,30)19-7-4-3-5-8-19/h3-14H,15H2,1-2H3,(H,25,27)