2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3-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=C2)Br

Isomeric SMILES

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

InChI

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