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

Systemtic Name: methyl 2-[2-[(4-bromophenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-bromophenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[brosyl(ethyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

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