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

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-chloro-2-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3-chloro-N-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=CC=C1Cl)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

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