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

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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