2-[2-[(5-chloranyl-2-methyl-3-methylsulfonyl-phenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2-methyl-3-methylsulfonyl-phenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(5-chloro-2-methyl-3-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(5-chloro-3-mesyl-2-methyl-anilino)acetyl]amino]benzoic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1NCC(=O)NC2=CC=CC=C2C(=O)O)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1NCC(=O)NC2=CC=CC=C2C(=O)O)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H17ClN2O5S/c1-10-14(7-11(18)8-15(10)26(2,24)25)19-9-16(21)20-13-6-4-3-5-12(13)17(22)23/h3-8,19H,9H2,1-2H3,(H,20,21)(H,22,23)