2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: 2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: 2-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]benzoate Formula: C16H14BrN2O5S- MolecularWeight: 426.26176

Click to see the large picture

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)/p-1