ethyl 4-[2-[(4-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-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=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C

Isomeric SMILES

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

InChI

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