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

Systemtic Name: methyl 3-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C17H17BrN2O5S/c1-25-17(22)12-5-3-7-14(9-12)19-16(21)11-20(26(2,23)24)15-8-4-6-13(18)10-15/h3-10H,11H2,1-2H3,(H,19,21)