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

Systemtic Name: ethyl 2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C18H19BrN2O5S/c1-3-26-18(23)15-9-4-5-10-16(15)20-17(22)12-21(27(2,24)25)14-8-6-7-13(19)11-14/h4-11H,3,12H2,1-2H3,(H,20,22)