ethyl 4-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S/c1-4-27-19(24)14-5-7-15(8-6-14)21-18(23)12-22(28(3,25)26)16-9-10-17(20)13(2)11-16/h5-11H,4,12H2,1-3H3,(H,21,23)