2-[2-[(2-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(2-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(2-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(2-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(2-bromo-N-mesyl-anilino)acetyl]amino]benzoic acid Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC=C2Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H15BrN2O5S/c1-25(23,24)19(14-9-5-3-7-12(14)17)10-15(20)18-13-8-4-2-6-11(13)16(21)22/h2-9H,10H2,1H3,(H,18,20)(H,21,22)