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

Systemtic Name: 2-[2-[(4-fluorophenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]benzoate Openeye Name: 2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)acetyl]amino]benzoate Formula: C22H18FN2O5S- MolecularWeight: 441.452123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2O5S/c1-15-6-10-17(11-7-15)25(31(29,30)18-12-8-16(23)9-13-18)14-21(26)24-20-5-3-2-4-19(20)22(27)28/h2-13H,14H2,1H3,(H,24,26)(H,27,28)/p-1